Institute of Experimental Mineralogy Russian Academy of Sciences ------------------------------------------------- 142432, Chernogolovka, Moscow district A.V. Chichagov +7(496)52-22320 *** *** W W W - X R A Y P O L *** *********************** ARGESITE 1 [NH(4)](7)Bi(3)Cl(16) Hexagonal R 3(-)c Z = 18 R =0.0345 NR =1289 3 .12 .12 Ref.Str.: Demartin F., Campostrini I., Castellano C., Gramaccioli C.M. (2012) * Amer. Mineral., 97, 1446-1451 R: from La Fossa Crater, Vulcano, Aeolian Islands, Italy. See U(ij) in theoriginal. N.A.D. Initial data from BDM-file Lattice parameters (cub. angs.,degr.): a = 13.093 alpha = 90.0 b = 13.093 beta = 90.0 c = 102.682 gamma = 120.0 Unit cell volume (cub. angs.) = 15244.15 Molar volume ( cub.cm/mol.) = 510.12 Co-ordinates, thermal parameters, occupation for atomic positions: NoP x/a y/b z/c B(j) atom / occupation 1 0.667 0.6663 0.0615 0.0 Bi = 1.00 2 0.3333 0.6667 0.0017 0.0 Bi = 1.00 3 0.3333 0.6667 0.1667 0.0 Bi = 1.00 4 0.4242 0.5372 0.0618 0.0 Cl = 1.00 5 0.9092 0.7794 0.0617 0.0 Cl = 1.00 6 0.6668 0.5082 0.045 0.0 Cl = 1.00 7 0.6671 0.7939 0.0422 0.0 Cl = 0.78, Br = 0.22 8 0.6667 0.5173 0.0833 0.0 Cl = 1.00 9 0.6667 0.8103 0.0833 0.0 Cl = 0.69, Br = 0.31 10 0.3724 0.5173 0.0154 0.0 Cl = 0.67, Br = 0.33 11 0.3408 0.8364 0.9845 0.0 Cl = 1.00 12 0.192 0.4765 0.1818 0.0 Cl = 1.00 13 0.3378 0.9918 0.0118 0.0 NH(4) = 1.00 14 0.6667 0.0491 0.0833 0.0 NH(4) = 0.64, K = 0.36 15 0.3337 0.9578 0.9618 0.0 NH(4) = 0.74, K = 0.26 16 0.3333 0.6667 0.0408 0.0 NH(4) = 0.51, K = 0.49 17 0.3333 0.6667 0.0824 0.0 NH(4) = 1.00 18 0.0 0.0 0.0404 0.0 NH(4) = 1.00 Co-ordinates for all atomic positions : No NoP x/a y/b z/c 1 1 0.667 0.6663 0.0615 2 2 0.3333 0.6667 0.0017 3 3 0.3333 0.6667 0.1667 4 4 0.4242 0.5372 0.0618 5 5 0.9092 0.7794 0.0617 6 6 0.6668 0.5082 0.045 7 7 0.6671 0.7939 0.0422 8 8 0.6667 0.5173 0.0833 9 9 0.6667 0.8103 0.0833 10 10 0.3724 0.5173 0.0154 11 11 0.3408 0.8364 0.9845 12 12 0.192 0.4765 0.1818 13 13 0.3378 0.9918 0.0118 14 14 0.6667 0.0491 0.0833 15 15 0.3337 0.9578 0.9618 16 16 0.3333 0.6667 0.0408 17 17 0.3333 0.6667 0.0824 18 18 0.0 0.0 0.0404 19 1 0.3337 0.0007 0.0615 20 1 0.9993 0.333 0.0615 21 4 0.4628 0.8871 0.0618 22 4 0.1129 0.5758 0.0618 23 5 0.2206 0.1298 0.0617 24 5 0.8702 0.0908 0.0617 25 6 0.4918 0.1586 0.045 26 6 0.8414 0.3332 0.045 27 7 0.2061 0.8732 0.0422 28 7 0.1268 0.3329 0.0422 29 8 0.4827 0.1493 0.0833 30 8 0.8507 0.3333 0.0833 31 9 0.1897 0.8564 0.0833 32 9 0.1436 0.3333 0.0833 33 10 0.4827 0.8551 0.0154 34 10 0.1449 0.6276 0.0154 35 11 0.1636 0.5044 0.9845 36 11 0.4956 0.6593 0.9845 37 12 0.5235 0.7155 0.1818 38 12 0.2845 0.808 0.1818 39 13 0.0082 0.346 0.0118 40 13 0.654 0.6622 0.0118 41 14 0.9509 0.6176 0.0833 42 14 0.3824 0.3333 0.0833 43 15 0.0422 0.3759 0.9618 44 15 0.6241 0.6663 0.9618 45 1 0.0004 0.334 0.3949 46 1 0.3326 0.9997 0.7282 47 2 0.0 0.0 0.335 48 2 0.6667 0.3333 0.6684 49 3 0.0 0.0 0.5 50 3 0.6667 0.3333 0.8333 51 4 0.1295 0.2204 0.3951 52 4 0.4462 0.2424 0.7284 53 5 0.8872 0.4631 0.3951 54 5 0.2035 0.7574 0.7284 55 6 0.1585 0.492 0.3783 56 6 0.1747 0.9998 0.7116 57 7 0.8728 0.2065 0.3755 58 7 0.4602 0.9996 0.7089 59 8 0.1493 0.4827 0.4167 60 8 0.184 0.0 0.75 61 9 0.8564 0.1897 0.4167 62 9 0.4769 0.0 0.75 63 10 0.1494 0.1885 0.3487 64 10 0.4782 0.2942 0.682 65 11 0.8303 0.8377 0.3178 66 11 0.8289 0.3259 0.6511 67 12 0.1901 0.0488 0.5151 68 12 0.6179 0.4747 0.8484 69 13 0.6749 0.6793 0.3451 70 13 0.9873 0.3289 0.6784 71 14 0.6176 0.9509 0.4167 72 14 0.7158 0.0 0.75 73 15 0.7089 0.7093 0.2951 74 15 0.9574 0.333 0.6284 75 16 0.0 0.0 0.3742 76 16 0.6667 0.3333 0.7075 77 17 0.0 0.0 0.4157 78 17 0.6667 0.3333 0.749 79 18 0.6667 0.3333 0.3737 80 18 0.3333 0.6667 0.707 81 1 0.666 0.6664 0.3949 82 1 0.0003 0.3329 0.7282 83 1 0.3336 0.9996 0.3949 84 1 0.667 0.6673 0.7282 85 4 0.7796 0.9091 0.3951 86 4 0.7576 0.2038 0.7284 87 4 0.0909 0.8705 0.3951 88 4 0.7962 0.5537 0.7284 89 5 0.5369 0.4241 0.3951 90 5 0.2426 0.4461 0.7284 91 5 0.5759 0.1128 0.3951 92 5 0.5539 0.7965 0.7284 93 6 0.508 0.6665 0.3783 94 6 0.0001 0.1748 0.7116 95 6 0.3335 0.8415 0.3783 96 6 0.8252 0.8253 0.7116 97 7 0.7935 0.6663 0.3755 98 7 0.0004 0.4606 0.7089 99 7 0.3337 0.1272 0.3755 100 7 0.5394 0.5398 0.7089 101 8 0.5173 0.6667 0.4167 102 8 0.0 0.184 0.75 103 8 0.3333 0.8507 0.4167 104 8 0.816 0.816 0.75 105 9 0.8103 0.6667 0.4167 106 9 0.0 0.4769 0.75 107 9 0.3333 0.1436 0.4167 108 9 0.523 0.523 0.75 109 10 0.8115 0.9609 0.3487 110 10 0.7057 0.1839 0.682 111 10 0.0391 0.8506 0.3487 112 10 0.816 0.5218 0.682 113 11 0.1623 0.9926 0.3178 114 11 0.6741 0.503 0.6511 115 11 0.0074 0.1697 0.3178 116 11 0.497 0.171 0.6511 117 12 0.9512 0.1414 0.5151 118 12 0.5253 0.1432 0.8484 119 12 0.8587 0.8099 0.5151 120 12 0.8568 0.3821 0.8484 121 13 0.3207 0.9955 0.3451 122 13 0.6711 0.6585 0.6784 123 13 0.0045 0.3251 0.3451 124 13 0.3415 0.0126 0.6784 125 14 0.0491 0.6667 0.4167 126 14 0.0 0.7158 0.75 127 14 0.3333 0.3824 0.4167 128 14 0.2842 0.2842 0.75 129 15 0.2907 0.9996 0.2951 130 15 0.667 0.6244 0.6284 131 15 0.0004 0.2911 0.2951 132 15 0.3756 0.0426 0.6284 133 1 0.667 0.0007 0.5615 134 2 0.3333 0.6667 0.5017 135 3 0.3333 0.6667 0.6667 136 4 0.4242 0.8871 0.5618 137 5 0.9092 0.1298 0.5617 138 6 0.6668 0.1587 0.545 139 7 0.6671 0.8732 0.5422 140 8 0.6667 0.1493 0.5833 141 9 0.6667 0.8564 0.5833 142 10 0.3724 0.8551 0.5154 143 11 0.3408 0.5044 0.4845 144 12 0.192 0.7155 0.6818 145 13 0.3378 0.346 0.5118 146 14 0.6667 0.6176 0.5833 147 15 0.3337 0.3759 0.4618 148 16 0.3333 0.6667 0.5408 149 17 0.3333 0.6667 0.5824 150 18 0.0 0.0 0.5404 151 1 0.3337 0.333 0.5615 152 1 0.9993 0.6663 0.5615 153 4 0.4628 0.5758 0.5618 154 4 0.1129 0.5372 0.5618 155 5 0.2206 0.0908 0.5617 156 5 0.8702 0.7794 0.5617 157 6 0.4918 0.3332 0.545 158 6 0.8414 0.5082 0.545 159 7 0.2061 0.3329 0.5422 160 7 0.1268 0.7939 0.5422 161 8 0.4827 0.3333 0.5833 162 8 0.8507 0.5173 0.5833 163 9 0.1897 0.3333 0.5833 164 9 0.1436 0.8103 0.5833 165 10 0.4827 0.6276 0.5154 166 10 0.1449 0.5173 0.5154 167 11 0.1636 0.6593 0.4845 168 11 0.4956 0.8364 0.4845 169 12 0.5235 0.808 0.6818 170 12 0.2845 0.4765 0.6818 171 13 0.0082 0.6622 0.5118 172 13 0.654 0.9918 0.5118 173 14 0.9509 0.3333 0.5833 174 14 0.3824 0.0491 0.5833 175 15 0.0422 0.6663 0.4618 176 15 0.6241 0.9578 0.4618 177 1 0.0004 0.6664 0.8949 178 1 0.3326 0.3329 0.2282 179 2 0.0 0.0 0.835 180 2 0.6667 0.3333 0.1684 181 3 0.0 0.0 0.0 182 3 0.6667 0.3333 0.3333 183 4 0.1295 0.9091 0.8951 184 4 0.4462 0.2038 0.2284 185 5 0.8872 0.4241 0.8951 186 5 0.2035 0.4461 0.2284 187 6 0.1585 0.6665 0.8783 188 6 0.1747 0.1748 0.2116 189 7 0.8728 0.6663 0.8755 190 7 0.4602 0.4606 0.2089 191 8 0.1493 0.6667 0.9167 192 8 0.184 0.184 0.25 193 9 0.8564 0.6667 0.9167 194 9 0.4769 0.4769 0.25 195 10 0.1494 0.9609 0.8487 196 10 0.4782 0.184 0.182 197 11 0.8303 0.9926 0.8178 198 11 0.8289 0.503 0.1511 199 12 0.1901 0.1413 0.0151 200 12 0.6179 0.1432 0.3484 201 13 0.6749 0.9955 0.8451 202 13 0.9873 0.6585 0.1784 203 14 0.6176 0.6667 0.9167 204 14 0.7158 0.7158 0.25 205 15 0.7089 0.9996 0.7951 206 15 0.9574 0.6244 0.1284 207 16 0.0 0.0 0.8742 208 16 0.6667 0.3333 0.2075 209 17 0.0 0.0 0.9157 210 17 0.6667 0.3333 0.249 211 18 0.6667 0.3333 0.8737 212 18 0.3333 0.6667 0.207 213 1 0.666 0.9996 0.8949 214 1 0.0003 0.6674 0.2282 215 1 0.3336 0.334 0.8949 216 1 0.667 0.9997 0.2282 217 4 0.7796 0.8705 0.8951 218 4 0.7576 0.5537 0.2284 219 4 0.0909 0.2204 0.8951 220 4 0.7962 0.2424 0.2284 221 5 0.5369 0.1127 0.8951 222 5 0.2426 0.7965 0.2284 223 5 0.5759 0.4631 0.8951 224 5 0.5539 0.7574 0.2284 225 6 0.508 0.8415 0.8783 226 6 0.0001 0.8253 0.2116 227 6 0.3335 0.492 0.8783 228 6 0.8252 0.9999 0.2116 229 7 0.7935 0.1272 0.8755 230 7 0.0004 0.5398 0.2089 231 7 0.3337 0.2065 0.8755 232 7 0.5394 0.9996 0.2089 233 8 0.5173 0.8507 0.9167 234 8 0.0 0.816 0.25 235 8 0.3333 0.4827 0.9167 236 8 0.816 0.0 0.25 237 9 0.8103 0.1436 0.9167 238 9 0.0 0.5231 0.25 239 9 0.3333 0.1897 0.9167 240 9 0.523 0.0 0.25 241 10 0.8115 0.8506 0.8487 242 10 0.7057 0.5218 0.182 243 10 0.0391 0.1885 0.8487 244 10 0.816 0.2942 0.182 245 11 0.1623 0.1697 0.8178 246 11 0.6741 0.171 0.1511 247 11 0.0074 0.8377 0.8178 248 11 0.497 0.3259 0.1511 249 12 0.9512 0.8099 0.0151 250 12 0.5253 0.3821 0.3484 251 12 0.8587 0.0488 0.0151 252 12 0.8568 0.4747 0.3484 253 13 0.3207 0.3251 0.8451 254 13 0.6711 0.0127 0.1784 255 13 0.0045 0.6793 0.8451 256 13 0.3415 0.3289 0.1784 257 14 0.0491 0.3824 0.9167 258 14 0.0 0.2842 0.25 259 14 0.3333 0.9509 0.9167 260 14 0.2842 0.0 0.25 261 15 0.2907 0.2911 0.7951 262 15 0.667 0.0426 0.1284 263 15 0.0004 0.7093 0.7951 264 15 0.3756 0.333 0.1284 265 1 0.333 0.3337 0.9385 266 2 0.6667 0.3333 0.9983 267 4 0.5758 0.4628 0.9382 268 5 0.0908 0.2206 0.9383 269 6 0.3332 0.4918 0.955 270 7 0.3329 0.2061 0.9578 271 10 0.6276 0.4827 0.9846 272 11 0.6593 0.1636 0.0155 273 12 0.808 0.5235 0.8182 274 13 0.6622 0.0082 0.9882 275 15 0.6663 0.0422 0.0382 276 16 0.6667 0.3333 0.9592 277 17 0.6667 0.3333 0.9176 278 18 0.0 0.0 0.9596 279 1 0.6663 0.9993 0.9385 280 1 0.0007 0.667 0.9385 281 4 0.5372 0.1129 0.9382 282 4 0.8871 0.4242 0.9382 283 5 0.7794 0.8702 0.9383 284 5 0.1298 0.9092 0.9383 285 6 0.5082 0.8414 0.955 286 6 0.1586 0.6668 0.955 287 7 0.7939 0.1268 0.9578 288 7 0.8732 0.6671 0.9578 289 10 0.5173 0.1449 0.9846 290 10 0.8551 0.3724 0.9846 291 11 0.8364 0.4956 0.0155 292 11 0.5044 0.3407 0.0155 293 12 0.4765 0.2845 0.8182 294 12 0.7155 0.192 0.8182 295 13 0.9918 0.654 0.9882 296 13 0.346 0.3378 0.9882 297 15 0.9578 0.6241 0.0382 298 15 0.3759 0.3337 0.0382 299 1 0.9996 0.666 0.6051 300 1 0.6674 0.0003 0.2718 301 2 0.0 0.0 0.665 302 2 0.3333 0.6667 0.3316 303 4 0.8705 0.7796 0.6049 304 4 0.5538 0.7576 0.2716 305 5 0.1128 0.5369 0.6049 306 5 0.7965 0.2426 0.2716 307 6 0.8415 0.508 0.6217 308 6 0.8253 0.0002 0.2884 309 7 0.1272 0.7935 0.6245 310 7 0.5398 0.0004 0.2911 311 10 0.8506 0.8115 0.6513 312 10 0.5218 0.7058 0.318 313 11 0.1697 0.1623 0.6822 314 11 0.1711 0.6741 0.3489 315 12 0.8099 0.9512 0.4849 316 12 0.3821 0.5253 0.1516 317 13 0.3251 0.3207 0.6549 318 13 0.0127 0.6711 0.3216 319 15 0.2911 0.2907 0.7049 320 15 0.0426 0.667 0.3716 321 16 0.0 0.0 0.6258 322 16 0.3333 0.6667 0.2925 323 17 0.0 0.0 0.5843 324 17 0.3333 0.6667 0.251 325 18 0.3333 0.6667 0.6263 326 18 0.6667 0.3333 0.293 327 1 0.334 0.3336 0.6051 328 1 0.9997 0.6671 0.2718 329 1 0.6664 0.0004 0.6051 330 1 0.333 0.3327 0.2718 331 4 0.2204 0.0909 0.6049 332 4 0.2424 0.7962 0.2716 333 4 0.9091 0.1295 0.6049 334 4 0.2038 0.4463 0.2716 335 5 0.4631 0.5759 0.6049 336 5 0.7574 0.5539 0.2716 337 5 0.4241 0.8872 0.6049 338 5 0.4461 0.2035 0.2716 339 6 0.492 0.3335 0.6217 340 6 0.9999 0.8252 0.2884 341 6 0.6665 0.1585 0.6217 342 6 0.1748 0.1747 0.2884 343 7 0.2065 0.3337 0.6245 344 7 0.9996 0.5394 0.2911 345 7 0.6663 0.8728 0.6245 346 7 0.4606 0.4602 0.2911 347 10 0.1885 0.0391 0.6513 348 10 0.2943 0.8161 0.318 349 10 0.9609 0.1494 0.6513 350 10 0.184 0.4782 0.318 351 11 0.8377 0.0074 0.6822 352 11 0.3259 0.497 0.3489 353 11 0.9926 0.8303 0.6822 354 11 0.503 0.829 0.3489 355 12 0.0488 0.8586 0.4849 356 12 0.4747 0.8568 0.1516 357 12 0.1413 0.1901 0.4849 358 12 0.1432 0.6179 0.1516 359 13 0.6793 0.0045 0.6549 360 13 0.3289 0.3415 0.3216 361 13 0.9955 0.6749 0.6549 362 13 0.6585 0.9874 0.3216 363 15 0.7093 0.0004 0.7049 364 15 0.333 0.3756 0.3716 365 15 0.9996 0.7089 0.7049 366 15 0.6244 0.9574 0.3716 367 1 0.333 0.9993 0.4385 368 2 0.6667 0.3333 0.4983 369 4 0.5758 0.1129 0.4382 370 5 0.0908 0.8702 0.4383 371 6 0.3332 0.8413 0.455 372 7 0.3329 0.1268 0.4578 373 10 0.6276 0.1449 0.4846 374 11 0.6593 0.4956 0.5155 375 12 0.808 0.2845 0.3182 376 13 0.6622 0.654 0.4882 377 15 0.6663 0.6241 0.5382 378 16 0.6667 0.3333 0.4592 379 17 0.6667 0.3333 0.4176 380 18 0.0 0.0 0.4596 381 1 0.6663 0.667 0.4385 382 1 0.0007 0.3337 0.4385 383 4 0.5372 0.4242 0.4382 384 4 0.8871 0.4628 0.4382 385 5 0.7794 0.9092 0.4383 386 5 0.1298 0.2206 0.4383 387 6 0.5082 0.6668 0.455 388 6 0.1586 0.4918 0.455 389 7 0.7939 0.6671 0.4578 390 7 0.8732 0.2061 0.4578 391 10 0.5173 0.3724 0.4846 392 10 0.8551 0.4827 0.4846 393 11 0.8364 0.3407 0.5155 394 11 0.5044 0.1636 0.5155 395 12 0.4765 0.192 0.3182 396 12 0.7155 0.5235 0.3182 397 13 0.9918 0.3378 0.4882 398 13 0.346 0.0082 0.4882 399 15 0.9578 0.3337 0.5382 400 15 0.3759 0.0422 0.5382 401 1 0.9996 0.3336 0.1051 402 1 0.6674 0.6671 0.7718 403 2 0.0 0.0 0.165 404 2 0.3333 0.6667 0.8316 405 4 0.8705 0.0909 0.1049 406 4 0.5538 0.7962 0.7716 407 5 0.1128 0.5759 0.1049 408 5 0.7965 0.5539 0.7716 409 6 0.8415 0.3335 0.1217 410 6 0.8253 0.8252 0.7884 411 7 0.1272 0.3337 0.1245 412 7 0.5398 0.5394 0.7911 413 10 0.8506 0.0391 0.1513 414 10 0.5218 0.816 0.818 415 11 0.1697 0.0074 0.1822 416 11 0.1711 0.497 0.8489 417 12 0.8099 0.8587 0.9849 418 12 0.3821 0.8568 0.6516 419 13 0.3251 0.0045 0.1549 420 13 0.0127 0.3415 0.8216 421 15 0.2911 0.0004 0.2049 422 15 0.0426 0.3756 0.8716 423 16 0.0 0.0 0.1258 424 16 0.3333 0.6667 0.7925 425 17 0.0 0.0 0.0843 426 17 0.3333 0.6667 0.751 427 18 0.3333 0.6667 0.1263 428 18 0.6667 0.3333 0.793 429 1 0.334 0.0004 0.1051 430 1 0.9997 0.3326 0.7718 431 1 0.6664 0.666 0.1051 432 1 0.333 0.0003 0.7718 433 4 0.2204 0.1295 0.1049 434 4 0.2424 0.4463 0.7716 435 4 0.9091 0.7796 0.1049 436 4 0.2038 0.7576 0.7716 437 5 0.4631 0.8873 0.1049 438 5 0.7574 0.2035 0.7716 439 5 0.4241 0.5369 0.1049 440 5 0.4461 0.2426 0.7716 441 6 0.492 0.1585 0.1217 442 6 0.9999 0.1747 0.7884 443 6 0.6665 0.508 0.1217 444 6 0.1748 0.0001 0.7884 445 7 0.2065 0.8728 0.1245 446 7 0.9996 0.4602 0.7911 447 7 0.6663 0.7935 0.1245 448 7 0.4606 0.0004 0.7911 449 10 0.1885 0.1494 0.1513 450 10 0.2943 0.4782 0.818 451 10 0.9609 0.8115 0.1513 452 10 0.184 0.7058 0.818 453 11 0.8377 0.8303 0.1822 454 11 0.3259 0.829 0.8489 455 11 0.9926 0.1623 0.1822 456 11 0.503 0.6741 0.8489 457 12 0.0488 0.1901 0.9849 458 12 0.4747 0.6179 0.6516 459 12 0.1413 0.9512 0.9849 460 12 0.1432 0.5253 0.6516 461 13 0.6793 0.6749 0.1549 462 13 0.3289 0.9873 0.8216 463 13 0.9955 0.3207 0.1549 464 13 0.6585 0.6711 0.8216 465 15 0.7093 0.7089 0.2049 466 15 0.333 0.9574 0.8716 467 15 0.9996 0.2907 0.2049 468 15 0.6244 0.667 0.8716 X-ray density (g/cm cub.) = 2.76 MU (1/cm) = 439.293 Mass attenuation coefficient (cm**2/g) = 159.037 Selected interatomic distances (cation-anion,anion-anion): NoP Atom Rad.sph. C.N. Distance NoP N. (angs.) (angs.) 1 Bi 3.792 6 2.7543 4 2.7492 5 2.6777 6 2.5925 7 2.9683 8 2.9287 9 2 Bi 3.792 6 2.6563 10 2.8049 11 2.6562 10 2.6561 10 2.805 11 2.8051 11 3 Bi 3.792 6 2.7233 12 2.7233 12 2.7231 12 2.7233 12 2.7233 12 2.7231 12 4 Cl 4.524 9 3.7961 6 3.8406 7 3.984 8 4.0519 9 4.3507 4 4.3507 4 3.9912 7 3.9651 9 4.4318 5 5 Cl 4.524 9 3.7926 6 3.8362 7 3.9842 8 4.055 9 4.3546 5 4.3546 5 3.9836 7 3.9637 9 4.4318 4 6 Cl 4.524 8 3.7961 4 3.7926 5 3.7503 7 3.9407 8 3.963 6 3.9631 6 3.8015 11 3.7146 11 7 Cl ,Br 4.704 10 3.8406 4 3.8362 5 3.7503 6 4.2279 9 4.65 10 3.9912 4 3.9836 5 4.0 10 4.5674 12 4.1003 12 8 Cl 4.524 9 3.984 4 3.9842 5 3.9407 6 3.8356 9 4.1727 8 4.1727 8 3.9846 4 3.9848 5 3.9418 6 9 Cl ,Br 4.704 11 4.0519 4 4.055 5 4.2279 7 3.8356 8 3.9651 4 3.9637 5 3.9657 4 4.0524 4 3.9644 5 4.0555 5 4.2289 7 10 Cl ,Br 4.704 8 4.65 7 4.0 7 3.9069 10 3.9069 10 4.1369 11 3.6238 11 4.2636 12 3.51 11 11 Cl 4.524 8 3.6238 10 4.1369 10 3.7673 11 3.7673 11 3.7145 6 3.8016 6 3.5102 10 3.6063 12 12 Cl 4.524 7 3.8788 12 3.8788 12 4.0998 7 4.2637 10 3.8234 12 3.8235 12 3.6061 11 13 NH(4) 3.912 7 3.4772 11 3.5314 7 3.2145 10 3.3871 12 3.6682 11 3.5499 10 3.6255 12 14 NH(4),K 3.948 7 3.1269 9 3.2965 4 3.2947 5 3.2692 8 3.2692 8 3.2971 4 3.2953 5 15 NH(4),K 3.948 8 2.8494 11 3.2819 7 3.4117 4 3.4142 5 3.3909 6 3.3925 6 3.3779 10 3.4336 12 16 NH(4),K 3.948 9 3.3046 4 3.8222 7 3.4545 10 3.3044 4 3.3044 4 3.822 7 3.8222 7 3.4544 10 3.4544 10 17 NH(4) 3.912 9 3.284 4 3.793 9 3.2838 4 3.2838 4 3.7928 9 3.793 9 3.4186 5 3.4187 5 3.4187 5 18 NH(4) 3.912 9 3.3377 5 3.8152 7 3.3377 5 3.3377 5 3.8153 7 3.8152 7 3.4283 12 3.4283 12 3.4283 12 X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.): No H K L Theta 2*Theta S LPG MF F I int. ( degree ) *100 1 0 0 6 2.58 5.159 0.029 984.24 2 444.8 167.6 2 1 0 -2 3.989 7.979 0.045 410.24 6 16.7 0.3 3 1 0 4 4.259 8.518 0.048 359.65 6 293.6 80.0 4 0 0 12 5.165 10.329 0.058 243.83 2 1143.3 274.3 5 1 0 -8 5.201 10.401 0.059 240.44 6 27.0 0.5 6 1 0 10 5.809 11.617 0.066 192.3 6 112.0 6.2 7 1 1 0 6.757 13.514 0.076 141.5 6 81.0 2.4 8 1 1 3 6.88 13.761 0.078 136.4 12 2082.4 3054.5 9 1 0 -14 7.185 14.371 0.081 124.88 6 181.2 10.6 10 1 1 6 7.237 14.474 0.082 123.06 12 2507.2 3994.6 11 0 0 18 7.76 15.521 0.088 106.74 2 3221.6 953.5 12 1 1 9 7.797 15.593 0.088 105.73 12 969.3 513.0 13 2 0 2 7.856 15.713 0.089 104.09 6 4.1 0.0 14 1 0 16 7.927 15.855 0.09 102.2 6 79.9 1.7 15 2 0 -4 7.998 15.996 0.09 100.36 6 133.4 4.6 16 1 1 12 8.52 17.039 0.096 88.19 12 1459.0 969.3 17 2 0 8 8.542 17.083 0.096 87.72 6 272.3 16.8 18 2 0 -10 8.928 17.857 0.101 80.1 6 88.9 1.6 19 1 1 15 9.37 18.74 0.106 72.53 12 1487.2 828.4 20 1 0 -20 9.48 18.959 0.107 70.81 6 411.1 30.9 21 2 0 14 9.888 19.776 0.111 64.9 6 388.0 25.2 22 1 0 22 10.281 20.561 0.116 59.88 6 404.3 25.3 23 1 1 18 10.317 20.635 0.116 59.44 12 359.5 39.7 24 2 1 1 10.363 20.727 0.117 58.89 12 129.1 5.1 25 0 0 24 10.372 20.744 0.117 58.79 2 1152.7 67.2 26 2 1 -2 10.391 20.781 0.117 58.57 12 5.5 0.0 27 2 0 -16 10.445 20.89 0.118 57.95 6 70.3 0.7 28 2 1 4 10.499 20.998 0.118 57.33 12 147.8 6.5 29 2 1 -5 10.58 21.16 0.119 56.42 12 80.9 1.9 30 2 1 7 10.792 21.584 0.122 54.14 12 213.8 12.8 31 2 1 -8 10.923 21.846 0.123 52.8 12 67.8 1.3 32 2 1 10 11.231 22.461 0.126 49.83 12 164.6 7.0 33 1 1 21 11.34 22.679 0.128 48.84 12 1811.0 827.1 34 2 1 -11 11.407 22.813 0.128 48.24 12 156.3 6.1 35 2 0 20 11.678 23.356 0.131 45.93 6 961.3 109.6 36 3 0 0 11.759 23.518 0.132 45.27 6 3083.5 1111.3 37 2 1 13 11.799 23.599 0.133 44.95 12 112.0 2.9 38 1 0 -26 11.919 23.839 0.134 44.01 6 15.8 0.0 39 2 1 -14 12.015 24.03 0.135 43.27 12 150.8 5.1 40 3 0 -6 12.047 24.093 0.135 43.04 6 437.9 21.3 41 3 0 6 12.047 24.093 0.135 43.04 6 436.7 21.2 42 2 0 -22 12.343 24.686 0.139 40.9 6 1322.5 184.7 43 1 1 24 12.42 24.84 0.14 40.37 12 2129.5 945.2 44 2 1 16 12.482 24.963 0.14 39.95 12 121.4 3.0 45 2 1 -17 12.731 25.463 0.143 38.32 12 266.5 14.1 46 1 0 28 12.754 25.507 0.143 38.18 6 144.6 2.1 47 3 0 -12 12.873 25.746 0.145 37.43 6 812.9 63.9 48 3 0 12 12.873 25.746 0.145 37.43 6 829.5 66.5 49 0 0 30 13.006 26.011 0.146 36.63 2 503.7 8.0 50 2 1 19 13.261 26.522 0.149 35.16 12 95.1 1.6 51 2 1 -20 13.54 27.08 0.152 33.64 12 1045.1 189.7 52 1 1 27 13.547 27.094 0.152 33.61 12 1508.5 394.9 53 2 2 0 13.611 27.222 0.153 33.27 6 363.9 11.4 54 2 2 3 13.674 27.348 0.153 32.95 12 1882.9 603.1 55 2 0 26 13.751 27.502 0.154 32.56 6 780.6 51.2 56 2 2 6 13.862 27.725 0.156 32.0 12 1267.9 265.6 57 2 1 22 14.123 28.247 0.158 30.76 12 1272.9 257.3 58 3 0 -18 14.151 28.301 0.159 30.63 6 2746.1 596.4 59 3 0 18 14.151 28.301 0.159 30.63 6 2771.1 607.3 60 2 2 9 14.171 28.342 0.159 30.54 12 158.6 4.0 61 3 1 -1 14.185 28.37 0.159 30.48 12 1300.9 266.3 62 3 1 2 14.205 28.41 0.159 30.38 12 1088.7 186.0 63 3 1 -4 14.286 28.572 0.16 30.02 12 584.4 52.9 64 3 1 5 14.347 28.694 0.161 29.75 12 487.4 36.5 65 2 1 -23 14.427 28.854 0.162 29.4 12 57.5 0.5 66 1 0 -32 14.447 28.893 0.162 29.31 6 676.7 34.7 67 2 0 -28 14.487 28.974 0.162 29.14 6 303.0 6.9 68 3 1 -7 14.507 29.014 0.163 29.05 12 117.8 2.1 69 2 2 12 14.593 29.187 0.164 28.68 12 864.6 110.7 70 3 1 8 14.607 29.213 0.164 28.63 12 325.8 15.7 71 1 1 30 14.711 29.423 0.165 28.19 12 380.2 21.1 72 3 1 -10 14.843 29.685 0.166 27.66 12 228.6 7.5 73 3 1 11 14.979 29.958 0.168 27.13 12 244.8 8.4 74 2 1 25 15.056 30.112 0.169 26.83 12 86.9 1.0 75 2 2 15 15.12 30.24 0.169 26.59 12 377.5 19.6 76 3 1 -13 15.286 30.572 0.171 25.97 12 370.6 18.4 77 1 0 34 15.304 30.609 0.171 25.91 6 251.5 4.2 78 2 1 -26 15.38 30.761 0.172 25.63 12 1251.7 207.4 79 3 1 14 15.456 30.912 0.173 25.36 12 137.4 2.5 80 0 0 36 15.668 31.335 0.175 24.63 2 356.5 2.7 81 2 2 18 15.742 31.485 0.176 24.38 12 90.9 1.0 82 3 0 -24 15.779 31.559 0.177 24.26 6 263.0 4.3 83 3 0 24 15.779 31.559 0.177 24.26 6 241.2 3.6 84 4 0 -2 15.792 31.584 0.177 24.21 6 1847.7 213.4 85 3 1 -16 15.829 31.657 0.177 24.09 12 58.7 0.4 86 4 0 4 15.866 31.731 0.177 23.97 6 910.3 51.3 87 1 1 33 15.908 31.816 0.178 23.83 12 372.4 17.1 88 2 0 32 16.012 32.023 0.179 23.5 6 392.8 9.4 89 3 1 17 16.03 32.061 0.179 23.44 12 100.1 1.2 90 2 1 28 16.048 32.097 0.179 23.39 12 969.5 113.5 91 4 0 -8 16.158 32.315 0.181 23.05 6 20.9 0.0 92 4 0 10 16.373 32.747 0.183 22.39 6 8.8 0.0 93 2 1 -29 16.391 32.782 0.183 22.34 12 168.5 3.3 94 2 2 21 16.451 32.901 0.184 22.17 12 3952.8 1788.5 95 3 1 -19 16.462 32.925 0.184 22.13 12 220.2 5.5 96 3 1 20 16.692 33.385 0.186 21.48 12 323.4 11.6 97 2 0 -34 16.797 33.594 0.188 21.19 6 296.9 4.8 98 4 0 -14 16.937 33.874 0.189 20.81 6 102.1 0.6 99 1 0 -38 17.04 34.081 0.19 20.53 6 471.8 11.8 100 2 1 31 17.092 34.184 0.191 20.4 12 207.0 4.5 101 1 1 36 17.132 34.264 0.191 20.3 12 714.3 53.5 102 3 1 -22 17.178 34.357 0.192 20.18 12 450.7 21.2 103 3 2 1 17.23 34.46 0.192 20.05 12 5.3 0.0 104 2 2 24 17.235 34.471 0.192 20.03 12 3330.4 1147.3 105 3 2 -2 17.247 34.494 0.192 20.0 12 720.5 53.6 106 4 0 16 17.281 34.562 0.193 19.92 6 164.4 1.4 107 3 2 4 17.315 34.63 0.193 19.83 12 550.7 31.1 108 3 2 -5 17.366 34.732 0.194 19.7 12 73.4 0.5 109 3 1 23 17.434 34.868 0.194 19.54 12 568.3 32.6 110 2 1 -32 17.45 34.901 0.195 19.5 12 87.2 0.8 111 3 2 7 17.502 35.003 0.195 19.37 12 230.2 5.3 112 3 2 -8 17.586 35.171 0.196 19.17 12 7.2 0.0 113 3 0 -30 17.675 35.349 0.197 18.96 6 2891.4 409.3 114 3 0 30 17.675 35.349 0.197 18.96 6 2909.1 414.3 115 3 2 10 17.786 35.572 0.198 18.7 12 30.1 0.1 116 3 2 -11 17.902 35.805 0.2 18.44 12 56.4 0.3 117 1 0 40 17.918 35.836 0.2 18.4 6 347.7 5.7 118 3 1 -25 17.968 35.936 0.2 18.29 12 600.4 34.0 119 4 0 -20 18.083 36.166 0.201 18.03 6 124.7 0.7 120 2 2 27 18.089 36.177 0.202 18.02 12 1860.6 322.2 121 4 1 0 18.138 36.276 0.202 17.92 12 263.4 6.4 122 3 2 13 18.165 36.33 0.202 17.86 12 321.0 9.5 123 2 1 34 18.181 36.362 0.203 17.82 12 111.2 1.1 124 4 1 -3 18.187 36.374 0.203 17.81 12 1509.6 209.6 125 4 1 3 18.187 36.374 0.203 17.81 12 1478.2 201.0 126 3 1 26 18.246 36.493 0.203 17.68 12 325.9 9.7 127 3 2 -14 18.312 36.623 0.204 17.54 12 24.8 0.1 128 4 1 -6 18.333 36.667 0.204 17.5 12 1971.8 351.3 129 4 1 6 18.333 36.667 0.204 17.5 12 1987.5 356.9 130 0 0 42 18.365 36.73 0.205 17.43 2 3291.3 162.5 131 1 1 39 18.381 36.762 0.205 17.4 12 1132.1 115.1 132 2 0 38 18.408 36.816 0.205 17.34 6 416.6 7.8 133 4 0 22 18.537 37.075 0.206 17.08 6 78.0 0.3 134 2 1 -35 18.553 37.106 0.207 17.05 12 60.0 0.3 135 4 1 -9 18.575 37.15 0.207 17.0 12 921.1 74.5 136 4 1 9 18.575 37.15 0.207 17.0 12 951.0 79.4 137 3 2 16 18.633 37.267 0.207 16.88 12 3.5 0.0 138 3 2 -17 18.808 37.617 0.209 16.54 12 123.9 1.3 139 3 1 -28 18.824 37.648 0.209 16.51 12 731.5 45.6 140 4 1 -12 18.909 37.817 0.21 16.35 12 1193.0 120.1 141 4 1 12 18.909 37.817 0.21 16.35 12 1218.0 125.2 142 2 2 30 19.003 38.006 0.211 16.17 12 976.9 79.7 143 3 1 29 19.123 38.246 0.213 15.95 12 552.7 25.1 144 3 2 19 19.186 38.371 0.213 15.83 12 387.2 12.3 145 2 0 -40 19.232 38.464 0.214 15.75 6 503.8 10.3 146 2 1 37 19.309 38.619 0.215 15.61 12 66.8 0.4 147 4 1 -15 19.331 38.661 0.215 15.57 12 1076.3 93.1 148 4 1 15 19.331 38.661 0.215 15.57 12 1076.2 93.1 149 3 2 -20 19.387 38.775 0.215 15.47 12 123.4 1.2 150 4 0 -26 19.541 39.082 0.217 15.2 6 173.0 1.2 151 1 1 42 19.653 39.306 0.218 15.01 12 2175.7 366.9 152 1 0 -44 19.694 39.387 0.219 14.94 6 20.0 0.0 153 2 1 -38 19.694 39.387 0.219 14.94 12 177.1 2.4 154 3 1 -31 19.74 39.479 0.219 14.86 12 313.0 7.5 155 3 0 -36 19.775 39.55 0.22 14.8 6 1790.2 122.5 156 3 0 36 19.775 39.55 0.22 14.8 6 1816.2 126.1 157 3 2 22 19.816 39.632 0.22 14.74 12 150.0 1.7 158 4 1 -18 19.836 39.672 0.22 14.7 12 219.5 3.7 159 4 1 18 19.836 39.672 0.22 14.7 12 239.2 4.3 160 5 0 2 19.877 39.753 0.221 14.64 6 732.8 20.3 161 5 0 -4 19.937 39.874 0.221 14.54 6 398.3 6.0 162 2 2 33 19.972 39.943 0.222 14.48 12 532.6 21.2 163 3 2 -23 20.042 40.084 0.222 14.37 12 596.3 26.4 164 3 1 32 20.057 40.114 0.223 14.34 12 123.1 1.1 165 4 0 28 20.087 40.174 0.223 14.3 6 438.6 7.1 166 5 0 8 20.177 40.354 0.224 14.16 6 280.1 2.9 167 5 0 -10 20.356 40.712 0.226 13.88 6 86.9 0.3 168 4 1 -21 20.42 40.84 0.226 13.78 12 2199.1 344.2 169 4 1 21 20.42 40.84 0.226 13.78 12 2231.2 354.3 170 2 1 40 20.474 40.947 0.227 13.7 12 64.7 0.3 171 3 2 25 20.518 41.036 0.228 13.64 12 299.4 6.3 172 1 0 46 20.591 41.182 0.228 13.53 6 54.6 0.1 173 3 3 0 20.67 41.34 0.229 13.41 6 4022.1 560.2 174 3 1 -34 20.709 41.418 0.23 13.36 12 479.6 15.9 175 3 3 3 20.714 41.428 0.23 13.35 12 367.0 9.3 176 3 2 -26 20.767 41.535 0.23 13.27 12 406.8 11.3 177 5 0 14 20.826 41.652 0.231 13.19 6 438.2 6.5 178 3 3 6 20.845 41.691 0.231 13.16 12 659.2 29.5 179 2 1 -41 20.869 41.738 0.231 13.13 12 36.7 0.1 180 2 0 44 20.912 41.825 0.232 13.07 6 93.2 0.3 181 1 1 45 20.946 41.892 0.232 13.02 12 1458.7 143.1 182 2 2 36 20.99 41.98 0.233 12.96 12 1277.4 109.2 183 3 1 35 21.043 42.086 0.233 12.89 12 365.3 8.9 184 3 3 9 21.063 42.125 0.233 12.86 12 172.5 2.0 185 4 2 -1 21.072 42.144 0.233 12.85 12 208.4 2.9 186 4 1 -24 21.077 42.154 0.233 12.84 12 2174.4 313.5 187 4 1 24 21.077 42.154 0.233 12.84 12 2196.2 319.8 188 4 2 2 21.087 42.173 0.234 12.83 12 259.5 4.5 189 0 0 48 21.105 42.21 0.234 12.8 2 5412.8 322.8 190 5 0 -16 21.115 42.231 0.234 12.79 6 448.9 6.7 191 4 2 -4 21.144 42.288 0.234 12.75 12 89.8 0.5 192 4 2 5 21.187 42.375 0.235 12.69 12 108.1 0.8 193 4 0 -32 21.259 42.517 0.235 12.6 6 560.7 10.2 194 3 2 28 21.287 42.575 0.236 12.56 12 444.3 12.8 195 4 2 -7 21.302 42.604 0.236 12.54 12 337.0 7.4 196 3 3 12 21.364 42.727 0.236 12.46 12 1021.1 67.1 197 4 2 8 21.373 42.746 0.237 12.45 12 165.5 1.8 198 4 2 -10 21.544 43.087 0.238 12.23 12 103.3 0.7 199 3 2 -29 21.558 43.115 0.239 12.21 12 27.1 0.0 200 4 2 11 21.643 43.285 0.239 12.1 12 46.0 0.1 201 2 1 43 21.67 43.34 0.24 12.07 12 249.4 3.9 202 3 1 -37 21.727 43.453 0.24 12.0 12 365.1 8.3 203 3 3 15 21.746 43.492 0.24 11.97 12 144.4 1.3 204 2 0 -46 21.769 43.537 0.241 11.94 6 312.9 3.0 205 5 0 20 21.797 43.594 0.241 11.91 6 81.1 0.2 206 4 1 -27 21.802 43.604 0.241 11.9 12 1999.2 245.7 207 4 1 27 21.802 43.604 0.241 11.9 12 1953.8 234.6 208 4 2 -13 21.867 43.735 0.242 11.82 12 436.4 11.6 209 4 0 34 21.881 43.762 0.242 11.81 6 128.1 0.5 210 4 2 14 21.993 43.986 0.243 11.67 12 76.7 0.4 211 3 0 -42 22.039 44.078 0.244 11.62 6 702.2 14.8 212 3 0 42 22.039 44.078 0.244 11.62 6 674.0 13.6 213 2 2 39 22.053 44.106 0.244 11.6 12 782.2 36.6 214 2 1 -44 22.076 44.152 0.244 11.57 12 670.6 26.9 215 3 1 38 22.076 44.152 0.244 11.57 12 77.7 0.4 216 3 2 31 22.118 44.236 0.244 11.52 12 38.7 0.1 217 5 0 -22 22.187 44.374 0.245 11.44 6 24.8 0.0 218 3 3 18 22.206 44.411 0.245 11.42 12 3390.3 677.9 219 5 1 1 22.229 44.458 0.246 11.39 12 521.0 16.0 220 5 1 -2 22.243 44.485 0.246 11.38 12 376.2 8.3 221 1 1 48 22.26 44.52 0.246 11.36 12 164.4 1.6 222 4 2 -16 22.27 44.54 0.246 11.35 12 48.4 0.1 223 5 1 4 22.298 44.596 0.246 11.31 12 475.3 13.2 224 5 1 -5 22.339 44.678 0.247 11.27 12 110.3 0.7 225 1 0 -50 22.407 44.814 0.247 11.19 6 332.2 3.2 226 3 2 -32 22.407 44.815 0.247 11.19 12 205.6 2.4 227 4 2 17 22.421 44.843 0.248 11.17 12 94.0 0.5 228 5 1 7 22.449 44.898 0.248 11.14 12 373.0 8.0 229 5 1 -8 22.517 45.035 0.249 11.07 12 43.2 0.1 230 4 1 -30 22.59 45.18 0.249 10.99 12 255.8 3.7 231 4 1 30 22.59 45.18 0.249 10.99 12 275.0 4.3 232 5 1 10 22.681 45.362 0.25 10.89 12 137.9 1.1 233 3 3 21 22.74 45.48 0.251 10.82 12 334.5 6.3 234 4 2 -19 22.749 45.498 0.251 10.81 12 596.7 19.9 235 5 1 -11 22.776 45.552 0.251 10.79 12 131.1 1.0 236 3 1 -40 22.789 45.578 0.251 10.77 12 236.1 3.1 237 2 1 46 22.897 45.794 0.253 10.66 12 436.1 10.5 238 4 2 20 22.925 45.849 0.253 10.63 12 451.6 11.2 239 5 1 13 22.992 45.984 0.254 10.56 12 522.8 14.9 240 3 2 34 23.005 46.01 0.254 10.54 12 255.3 3.5 241 5 0 26 23.059 46.118 0.254 10.49 6 195.4 1.0 242 5 1 -14 23.113 46.226 0.255 10.43 12 112.9 0.7 243 3 1 41 23.152 46.305 0.255 10.39 12 160.5 1.4 244 2 2 42 23.157 46.314 0.255 10.39 12 2210.0 262.0 245 4 0 -38 23.193 46.385 0.256 10.35 6 501.7 6.7 246 4 2 -22 23.3 46.599 0.257 10.24 12 549.1 15.9 247 2 1 -47 23.312 46.625 0.257 10.23 12 135.6 1.0 248 3 2 -35 23.313 46.625 0.257 10.23 12 54.7 0.2 249 1 0 52 23.326 46.651 0.257 10.22 6 289.9 2.2 250 3 3 24 23.344 46.688 0.257 10.2 12 1992.8 209.2 251 5 1 16 23.38 46.759 0.258 10.17 12 71.9 0.3 252 4 1 -33 23.437 46.874 0.258 10.11 12 290.5 4.4 253 4 1 33 23.437 46.874 0.258 10.11 12 330.9 5.7 254 4 2 23 23.499 46.997 0.259 10.05 12 936.5 45.5 255 2 0 50 23.511 47.023 0.259 10.04 6 107.2 0.3 256 5 1 -17 23.525 47.051 0.259 10.02 12 212.6 2.3 257 5 0 -28 23.538 47.077 0.259 10.01 6 43.3 0.0 258 1 1 51 23.595 47.19 0.26 9.96 12 1960.3 197.6 259 5 1 19 23.841 47.682 0.262 9.73 12 430.3 9.3 260 4 0 40 23.88 47.759 0.263 9.69 6 265.6 1.8 261 3 1 -43 23.893 47.785 0.263 9.68 12 385.8 7.4 262 0 0 54 23.897 47.793 0.263 9.67 2 658.6 3.6 263 4 2 -25 23.919 47.838 0.263 9.65 12 495.5 12.2 264 3 2 37 23.945 47.89 0.263 9.63 12 163.6 1.3 265 5 1 -20 24.01 48.021 0.264 9.57 12 273.0 3.7 266 3 3 27 24.015 48.029 0.264 9.57 12 314.2 4.9 267 6 0 0 24.054 48.108 0.265 9.53 6 5057.1 629.3 268 4 2 26 24.14 48.28 0.265 9.45 12 250.4 3.1 269 2 1 49 24.153 48.305 0.266 9.44 12 178.0 1.5 270 6 0 -6 24.209 48.419 0.266 9.39 6 129.9 0.4 271 6 0 6 24.209 48.419 0.266 9.39 6 111.1 0.3 272 3 1 44 24.269 48.538 0.267 9.34 12 329.4 5.2 273 3 2 -38 24.269 48.539 0.267 9.34 12 299.3 4.3 274 2 2 45 24.299 48.598 0.267 9.31 12 2676.9 344.6 275 4 1 -36 24.338 48.676 0.268 9.28 12 665.2 21.2 276 4 1 36 24.338 48.676 0.268 9.28 12 665.5 21.2 277 5 1 22 24.373 48.745 0.268 9.25 12 279.4 3.7 278 2 0 -52 24.398 48.795 0.268 9.23 6 109.9 0.3 279 4 3 1 24.411 48.823 0.268 9.22 12 983.9 46.1 280 4 3 -2 24.424 48.849 0.268 9.21 12 528.7 13.3 281 3 0 -48 24.441 48.881 0.269 9.19 6 2698.2 172.8 282 3 0 48 24.441 48.881 0.269 9.19 6 2705.2 173.7 283 4 3 4 24.476 48.951 0.269 9.16 12 191.6 1.7 284 4 3 -5 24.514 49.028 0.269 9.13 12 323.2 4.9 285 5 1 -23 24.565 49.13 0.27 9.09 12 928.3 40.4 286 2 1 -50 24.577 49.154 0.27 9.08 12 669.4 21.0 287 5 0 32 24.578 49.156 0.27 9.08 6 425.9 4.2 288 4 2 -28 24.603 49.207 0.27 9.05 12 176.1 1.4 289 4 3 7 24.616 49.233 0.27 9.04 12 32.8 0.1 290 6 0 -12 24.672 49.343 0.271 9.0 6 1016.4 24.0 291 6 0 12 24.672 49.343 0.271 9.0 6 983.0 22.4 292 4 3 -8 24.68 49.36 0.271 8.99 12 270.7 3.4 293 3 3 30 24.748 49.496 0.272 8.93 12 2878.0 382.1 294 4 3 10 24.833 49.666 0.273 8.86 12 49.9 0.1 295 4 2 29 24.845 49.691 0.273 8.85 12 79.3 0.3 296 4 3 -11 24.922 49.843 0.274 8.79 12 128.7 0.8 297 3 2 40 24.934 49.867 0.274 8.78 12 380.6 6.6 298 1 1 54 24.95 49.9 0.274 8.77 12 1600.9 116.1 299 5 1 25 24.972 49.944 0.274 8.75 12 621.3 17.4 300 3 1 -46 25.035 50.069 0.275 8.7 12 436.2 8.6 301 5 2 0 25.103 50.205 0.275 8.65 12 425.7 8.1 302 4 3 13 25.123 50.247 0.276 8.63 12 92.7 0.4 303 5 0 -34 25.136 50.271 0.276 8.62 6 131.8 0.4 304 5 2 -3 25.14 50.281 0.276 8.62 12 1593.6 113.0 305 5 2 3 25.14 50.281 0.276 8.62 12 1639.2 119.6 306 1 0 -56 25.185 50.371 0.276 8.58 6 531.3 6.3 307 5 1 -26 25.186 50.372 0.276 8.58 12 29.1 0.0 308 4 3 -14 25.237 50.473 0.277 8.55 12 327.3 4.7 309 5 2 -6 25.253 50.507 0.277 8.53 12 1941.7 166.1 310 5 2 6 25.253 50.507 0.277 8.53 12 1970.9 171.1 311 3 2 -41 25.274 50.547 0.277 8.52 12 20.3 0.0 312 4 1 -39 25.29 50.581 0.277 8.5 12 1274.0 71.3 313 4 1 39 25.29 50.581 0.277 8.5 12 1295.4 73.7 314 4 0 -44 25.311 50.622 0.278 8.49 6 1656.9 60.2 315 4 2 -31 25.349 50.698 0.278 8.46 12 46.6 0.1 316 3 1 47 25.423 50.847 0.279 8.4 12 670.8 19.5 317 6 0 -18 25.428 50.856 0.279 8.4 6 2084.8 94.3 318 6 0 18 25.428 50.856 0.279 8.4 6 2054.8 91.6 319 2 1 52 25.436 50.872 0.279 8.39 12 665.3 19.2 320 5 2 -9 25.441 50.882 0.279 8.39 12 833.1 30.1 321 5 2 9 25.441 50.882 0.279 8.39 12 808.9 28.3 322 2 2 48 25.477 50.955 0.279 8.36 12 514.2 11.4 323 4 3 16 25.486 50.973 0.279 8.36 12 168.8 1.2 324 3 3 33 25.54 51.08 0.28 8.32 12 171.6 1.3 325 4 2 32 25.61 51.221 0.281 8.26 12 473.7 9.6 326 4 3 -17 25.623 51.246 0.281 8.25 12 16.6 0.0 327 5 1 28 25.635 51.271 0.281 8.25 12 88.1 0.3 328 5 2 -12 25.702 51.403 0.282 8.2 12 929.3 36.6 329 5 2 12 25.702 51.403 0.282 8.2 12 983.7 41.0 330 2 1 -53 25.87 51.739 0.283 8.08 12 341.0 4.8 331 5 1 -29 25.87 51.74 0.283 8.08 12 49.7 0.1 332 4 3 19 25.92 51.839 0.284 8.04 12 110.7 0.5 333 3 2 43 25.968 51.937 0.284 8.01 12 256.9 2.7 334 5 2 -15 26.034 52.069 0.285 7.96 12 1172.0 56.5 335 5 2 15 26.034 52.069 0.285 7.96 12 1181.6 57.4 336 4 0 46 26.054 52.108 0.285 7.95 6 1540.0 48.7 337 4 3 -20 26.079 52.158 0.285 7.93 12 369.8 5.6 338 1 0 58 26.127 52.254 0.286 7.9 6 513.1 5.4 339 4 2 -34 26.152 52.305 0.286 7.88 12 220.1 2.0 340 2 0 56 26.201 52.401 0.287 7.85 6 479.7 4.7 341 3 1 -49 26.213 52.426 0.287 7.84 12 759.9 23.4 342 4 1 -42 26.29 52.581 0.288 7.78 12 1891.8 143.9 343 4 1 42 26.29 52.581 0.288 7.78 12 1882.5 142.5 344 3 2 -44 26.323 52.646 0.288 7.76 12 116.4 0.5 345 5 0 38 26.323 52.646 0.288 7.76 6 392.3 3.1 346 1 1 57 26.326 52.653 0.288 7.76 12 60.4 0.1 347 5 1 31 26.36 52.719 0.288 7.74 12 134.6 0.7 348 3 3 36 26.388 52.776 0.288 7.72 12 1516.4 91.7 349 4 3 22 26.421 52.841 0.289 7.7 12 559.0 12.4 350 4 2 35 26.432 52.865 0.289 7.69 12 127.6 0.6 351 5 2 -18 26.437 52.874 0.289 7.69 12 193.4 1.5 352 5 2 18 26.437 52.874 0.289 7.69 12 253.0 2.5 353 6 1 -1 26.457 52.914 0.289 7.67 12 231.5 2.1 354 6 0 -24 26.461 52.922 0.289 7.67 6 188.7 0.7 355 6 0 24 26.461 52.922 0.289 7.67 6 219.6 1.0 356 6 1 2 26.469 52.938 0.289 7.67 12 685.0 18.6 357 6 1 -4 26.518 53.035 0.29 7.63 12 135.0 0.7 358 6 1 5 26.554 53.108 0.29 7.61 12 298.6 3.5 359 4 3 -23 26.602 53.204 0.291 7.58 12 292.2 3.3 360 3 1 50 26.614 53.227 0.291 7.57 12 799.7 25.0 361 5 1 -32 26.614 53.228 0.291 7.57 12 614.7 14.8 362 6 1 -7 26.651 53.301 0.291 7.55 12 356.7 5.0 363 2 2 51 26.69 53.38 0.292 7.52 12 107.2 0.4 364 6 1 8 26.711 53.422 0.292 7.51 12 97.3 0.4 365 2 1 55 26.746 53.492 0.292 7.49 12 241.1 2.2 366 0 0 60 26.75 53.5 0.292 7.48 2 845.9 4.6 367 6 1 -10 26.855 53.71 0.293 7.42 12 41.7 0.1 368 5 2 -21 26.907 53.814 0.294 7.38 12 1123.9 48.2 369 5 2 21 26.907 53.814 0.294 7.38 12 1090.7 45.4 370 6 1 11 26.939 53.878 0.294 7.36 12 68.1 0.2 371 5 0 -40 26.951 53.901 0.294 7.36 6 168.5 0.5 372 3 0 -54 26.966 53.932 0.294 7.35 6 215.3 0.9 373 3 0 54 26.966 53.932 0.294 7.35 6 205.4 0.8 374 4 3 25 26.987 53.974 0.295 7.33 12 446.8 7.6 375 4 2 -37 27.01 54.021 0.295 7.32 12 260.6 2.6 376 3 2 46 27.046 54.092 0.295 7.3 12 185.2 1.3 377 2 0 -58 27.117 54.235 0.296 7.25 6 26.7 0.0 378 6 1 -13 27.13 54.26 0.296 7.25 12 361.9 4.9 379 5 1 34 27.142 54.284 0.296 7.24 12 317.7 3.8 380 2 1 -56 27.189 54.378 0.297 7.21 12 518.9 10.0 381 4 3 -26 27.19 54.379 0.297 7.21 12 161.6 1.0 382 6 1 14 27.237 54.475 0.297 7.18 12 57.0 0.1 383 3 3 39 27.288 54.577 0.298 7.15 12 131.6 0.6 384 4 2 38 27.308 54.616 0.298 7.14 12 327.0 3.9 385 4 1 -45 27.336 54.671 0.298 7.12 12 1257.1 58.1 386 4 1 45 27.336 54.671 0.298 7.12 12 1254.3 57.9 387 3 2 -47 27.415 54.829 0.299 7.08 12 185.4 1.3 388 5 1 -35 27.415 54.83 0.299 7.08 12 155.5 0.9 389 3 1 -52 27.426 54.852 0.299 7.07 12 579.7 12.3 390 5 2 -24 27.443 54.885 0.299 7.06 12 2056.7 154.2 391 5 2 24 27.443 54.885 0.299 7.06 12 2092.7 159.7 392 6 1 -16 27.474 54.949 0.299 7.04 12 142.3 0.7 393 4 0 -50 27.592 55.183 0.301 6.97 6 376.9 2.6 394 6 1 17 27.604 55.208 0.301 6.97 12 212.0 1.6 395 4 3 28 27.616 55.231 0.301 6.96 12 626.9 14.1 396 1 1 60 27.725 55.449 0.302 6.9 12 1409.0 70.7 397 6 0 -30 27.749 55.498 0.302 6.88 6 666.6 7.9 398 6 0 30 27.749 55.498 0.302 6.88 6 646.3 7.4 399 3 1 53 27.838 55.676 0.303 6.83 12 544.3 10.5 400 4 3 -29 27.839 55.678 0.303 6.83 12 610.3 13.1 401 6 1 -19 27.886 55.772 0.304 6.81 12 179.6 1.1 402 4 2 -40 27.921 55.841 0.304 6.79 12 189.2 1.3 403 2 2 54 27.936 55.871 0.304 6.78 12 1103.1 42.6 404 5 1 37 27.979 55.958 0.305 6.76 12 171.4 1.0 405 1 0 -62 28.037 56.073 0.305 6.73 6 223.9 0.9 406 6 1 20 28.038 56.075 0.305 6.72 12 381.5 5.1 407 5 2 -27 28.041 56.083 0.305 6.72 12 1216.6 51.4 408 5 2 27 28.041 56.083 0.305 6.72 12 1264.0 55.5 409 4 4 0 28.077 56.153 0.306 6.7 6 135.1 0.3 410 2 1 58 28.083 56.167 0.306 6.7 12 410.8 5.8 411 4 4 3 28.112 56.223 0.306 6.68 12 1034.7 37.0 412 3 2 49 28.165 56.33 0.306 6.66 12 176.1 1.1 413 4 4 6 28.216 56.432 0.307 6.63 12 1302.7 58.1 414 4 2 41 28.235 56.47 0.307 6.62 12 52.6 0.1 415 3 3 42 28.239 56.478 0.307 6.62 12 1565.6 83.8 416 5 0 44 28.27 56.539 0.307 6.6 6 420.9 3.0 417 5 1 -38 28.27 56.54 0.307 6.6 12 437.6 6.5 418 4 3 31 28.305 56.61 0.308 6.58 12 384.9 5.0 419 6 1 -22 28.363 56.726 0.308 6.55 12 526.6 9.4 420 4 0 52 28.385 56.77 0.309 6.54 6 130.0 0.3 421 4 4 9 28.39 56.78 0.309 6.54 12 165.1 0.9 422 5 3 -1 28.398 56.795 0.309 6.53 12 824.8 23.0 423 5 3 2 28.409 56.818 0.309 6.53 12 562.1 10.6 424 7 0 -2 28.409 56.818 0.309 6.53 6 720.1 8.7 425 4 1 -48 28.424 56.848 0.309 6.52 12 83.6 0.2 426 4 1 48 28.424 56.848 0.309 6.52 12 70.4 0.2 427 5 3 -4 28.455 56.911 0.309 6.5 12 685.4 15.8 428 7 0 4 28.455 56.911 0.309 6.5 6 54.8 0.1 429 5 3 5 28.49 56.98 0.31 6.49 12 205.6 1.4 430 2 1 -59 28.535 57.07 0.31 6.46 12 150.0 0.8 431 6 1 23 28.536 57.072 0.31 6.46 12 425.2 6.0 432 3 2 -50 28.547 57.094 0.31 6.46 12 766.2 19.6 433 4 3 -32 28.547 57.095 0.31 6.46 12 36.8 0.0 434 5 3 -7 28.582 57.164 0.311 6.44 12 240.3 1.9 435 4 4 12 28.632 57.264 0.311 6.41 12 1030.9 35.2 436 5 3 8 28.64 57.279 0.311 6.41 12 211.1 1.5 437 7 0 -8 28.64 57.279 0.311 6.41 6 364.4 2.2 438 3 1 -55 28.673 57.347 0.311 6.39 12 302.6 3.0 439 5 2 -30 28.701 57.402 0.312 6.38 12 199.4 1.3 440 5 2 30 28.701 57.402 0.312 6.38 12 197.7 1.3 441 5 3 -10 28.777 57.555 0.312 6.34 12 75.3 0.2 442 7 0 10 28.777 57.555 0.312 6.34 6 228.9 0.9 443 5 3 11 28.858 57.715 0.313 6.3 12 230.4 1.7 444 5 1 40 28.869 57.737 0.313 6.29 12 460.4 6.9 445 4 2 -43 28.88 57.76 0.314 6.29 12 379.2 4.7 446 6 1 -25 28.903 57.806 0.314 6.28 12 238.2 1.8 447 4 4 15 28.941 57.883 0.314 6.26 12 98.7 0.3 448 5 0 -46 28.96 57.92 0.314 6.25 6 543.8 4.8 449 2 0 62 28.982 57.964 0.315 6.24 6 563.5 5.1 450 1 0 64 29.005 58.01 0.315 6.23 6 284.2 1.3 451 5 3 -13 29.04 58.081 0.315 6.21 12 174.2 1.0 452 4 3 34 29.051 58.103 0.315 6.21 12 269.0 2.3 453 3 1 56 29.096 58.193 0.316 6.18 12 235.5 1.8 454 6 1 26 29.097 58.194 0.316 6.18 12 503.8 8.1 455 5 3 14 29.143 58.286 0.316 6.16 12 390.3 4.8 456 7 0 -14 29.143 58.286 0.316 6.16 6 199.6 0.6 457 1 1 63 29.145 58.291 0.316 6.16 12 1497.6 71.4 458 5 1 -41 29.176 58.353 0.316 6.15 12 410.8 5.4 459 4 2 44 29.21 58.421 0.317 6.13 12 365.7 4.2 460 2 2 57 29.214 58.428 0.317 6.13 12 576.5 10.5 461 3 3 45 29.237 58.474 0.317 6.12 12 348.3 3.8 462 6 0 -36 29.271 58.542 0.317 6.1 6 412.6 2.7 463 6 0 36 29.271 58.542 0.317 6.1 6 418.1 2.8 464 4 3 -35 29.313 58.626 0.318 6.08 12 244.1 1.9 465 4 4 18 29.317 58.634 0.318 6.08 12 49.1 0.1 466 3 2 52 29.324 58.647 0.318 6.08 12 675.2 14.3 467 6 2 1 29.336 58.672 0.318 6.07 12 192.0 1.2 468 6 2 -2 29.347 58.694 0.318 6.07 12 34.9 0.0 469 5 3 -16 29.37 58.739 0.318 6.06 12 283.1 2.5 470 7 0 16 29.37 58.739 0.318 6.06 6 4.7 0.0 471 6 2 4 29.392 58.785 0.319 6.04 12 296.8 2.7 472 5 2 -33 29.418 58.837 0.319 6.03 12 330.0 3.4 473 5 2 33 29.418 58.837 0.319 6.03 12 278.9 2.4 474 6 2 -5 29.426 58.853 0.319 6.03 12 224.9 1.6 475 2 1 61 29.448 58.896 0.319 6.02 12 47.2 0.1 476 5 3 17 29.494 58.988 0.32 6.0 12 332.9 3.4 477 6 1 -28 29.505 59.01 0.32 5.99 12 131.9 0.5 478 6 2 7 29.517 59.033 0.32 5.99 12 441.4 6.0 479 4 1 -51 29.553 59.107 0.32 5.97 12 1353.3 56.5 480 4 1 51 29.553 59.107 0.32 5.97 12 1328.1 54.4 481 6 2 -8 29.573 59.146 0.32 5.96 12 612.1 11.5 482 3 0 -60 29.609 59.219 0.321 5.95 6 220.4 0.7 483 3 0 60 29.609 59.219 0.321 5.95 6 242.4 0.9 484 0 0 66 29.677 59.353 0.321 5.92 2 4200.5 89.8 485 6 2 10 29.708 59.416 0.322 5.9 12 255.9 2.0 486 3 2 -53 29.718 59.437 0.322 5.9 12 265.3 2.1 487 6 1 29 29.719 59.438 0.322 5.9 12 77.8 0.2 488 4 4 21 29.757 59.513 0.322 5.88 12 2332.3 165.2 489 5 3 -19 29.764 59.528 0.322 5.88 12 21.8 0.0 490 6 2 -11 29.787 59.573 0.322 5.87 12 115.8 0.4 491 5 1 43 29.809 59.617 0.323 5.86 12 718.7 15.6 492 4 3 37 29.853 59.707 0.323 5.84 12 320.0 3.1 493 4 2 -46 29.887 59.774 0.323 5.82 12 399.9 4.8 494 2 1 -62 29.909 59.817 0.324 5.81 12 589.4 10.4 495 5 3 20 29.91 59.82 0.324 5.81 12 276.4 2.3 496 7 0 -20 29.91 59.82 0.324 5.81 6 464.9 3.2 497 2 0 -64 29.931 59.862 0.324 5.8 6 61.9 0.1 498 3 1 -58 29.954 59.907 0.324 5.79 12 14.8 0.0 499 6 2 13 29.966 59.932 0.324 5.79 12 309.8 2.9 X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.): No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si) ( degree ) (angstrem) *100 *100 1 0 0 6 2.58 5.159 17.11367 167.6 4.2 4.2 5.5 2 1 0 4 4.259 8.518 10.3721 80.0 2.0 2.0 5.6 3 0 0 12 5.165 10.329 8.55683 274.3 6.9 6.9 5.6 4 1 1 3 6.88 13.761 6.42995 3054.5 76.5 76.5 5.6 5 1 1 6 7.237 14.474 6.11441 3994.6 100.0 100.0 5.6 6 0 0 18 7.76 15.521 5.70456 953.5 23.9 23.9 5.6 7 1 1 9 7.797 15.593 5.67815 513.0 12.8 12.8 5.6 8 1 1 12 8.52 17.039 5.19937 986.1 24.7 24.6 5.6 9 1 1 15 9.37 18.74 4.73124 828.4 20.7 20.7 5.6 10 0 0 24 10.372 20.744 4.27842 72.3 1.8 1.8 5.6 11 1 1 21 11.34 22.679 3.91751 827.1 20.7 20.6 5.6 12 2 0 20 11.678 23.356 3.80558 109.6 2.7 2.7 5.6 13 3 0 0 11.759 23.518 3.77962 1111.3 27.8 27.7 5.6 14 3 0 6 12.047 24.093 3.69069 42.5 1.1 1.1 5.6 15 2 0 22 12.343 24.686 3.60337 184.7 4.6 4.6 5.6 16 1 1 24 12.42 24.84 3.5814 945.2 23.7 23.5 5.6 17 3 0 12 12.873 25.746 3.45737 130.4 3.3 3.2 5.6 18 1 1 27 13.547 27.094 3.28842 584.6 14.6 14.5 5.6 19 2 2 3 13.674 27.348 3.25838 603.1 15.1 15.0 5.6 20 2 0 26 13.751 27.502 3.24057 51.2 1.3 1.3 5.6 21 2 2 6 13.862 27.725 3.21497 265.6 6.7 6.6 5.6 22 3 0 18 14.151 28.301 3.15079 1461.1 36.6 36.2 5.6 23 3 1 1 14.185 28.37 3.14336 456.2 11.4 11.3 5.6 24 3 1 4 14.286 28.572 3.1215 52.9 1.3 1.3 5.6 25 2 2 12 14.593 29.187 3.0572 126.4 3.2 3.1 5.6 26 2 1 26 15.38 30.761 2.90423 207.4 5.2 5.1 5.6 27 4 0 2 15.792 31.584 2.83041 221.4 5.5 5.5 5.6 28 4 0 4 15.866 31.731 2.81759 51.3 1.3 1.3 5.6 29 2 1 28 16.048 32.097 2.78636 113.5 2.8 2.8 5.6 30 2 2 21 16.451 32.901 2.72004 1794.0 44.9 44.3 5.6 31 1 1 36 17.132 34.264 2.61487 53.5 1.3 1.3 5.7 32 2 2 24 17.235 34.471 2.59969 1200.9 30.1 29.6 5.7 33 3 0 30 17.675 35.349 2.53705 823.6 20.6 20.3 5.7 34 2 2 27 18.089 36.177 2.48088 322.2 8.1 7.9 5.7 35 4 1 3 18.187 36.374 2.4679 427.6 10.7 10.5 5.7 36 4 1 6 18.333 36.667 2.44888 708.2 17.7 17.4 5.7 37 0 0 42 18.365 36.73 2.44481 277.7 7.0 6.8 5.7 38 4 1 9 18.575 37.15 2.41813 153.9 3.9 3.8 5.7 39 3 1 28 18.824 37.648 2.38725 46.9 1.2 1.2 5.7 40 4 1 12 18.909 37.817 2.37696 245.4 6.1 6.0 5.7 41 2 2 30 19.003 38.006 2.36562 79.7 2.0 2.0 5.7 42 4 1 15 19.331 38.661 2.327 186.2 4.7 4.6 5.7 43 1 1 42 19.653 39.306 2.29031 366.9 9.2 9.0 5.7 44 3 0 36 19.775 39.55 2.27674 248.6 6.2 6.1 5.7 45 4 1 21 20.42 40.84 2.20776 698.5 17.5 17.1 5.7 46 3 3 0 20.67 41.34 2.18217 560.2 14.0 13.7 5.7 47 1 1 45 20.946 41.892 2.15469 143.1 3.6 3.5 5.7 48 2 2 36 20.99 41.98 2.1504 109.2 2.7 2.7 5.7 49 4 2 2 21.087 42.173 2.14098 970.2 24.3 23.7 5.7 50 3 3 12 21.364 42.727 2.11449 68.8 1.7 1.7 5.7 51 4 1 27 21.802 43.604 2.07401 480.3 12.0 11.7 5.7 52 2 2 39 22.053 44.106 2.05156 92.3 2.3 2.3 5.7 53 3 3 18 22.206 44.411 2.03814 693.8 17.4 16.9 5.7 54 2 2 42 23.157 46.314 1.95875 263.4 6.6 6.4 5.7 55 3 3 24 23.344 46.688 1.94392 209.2 5.2 5.1 5.7 56 4 2 23 23.499 46.997 1.93184 48.1 1.2 1.2 5.7 57 1 1 51 23.595 47.19 1.92442 197.6 4.9 4.8 5.7 58 6 0 0 24.054 48.108 1.88981 629.3 15.8 15.3 5.7 59 2 2 45 24.299 48.598 1.87188 344.6 8.6 8.4 5.7 60 4 1 36 24.338 48.676 1.86907 42.4 1.1 1.0 5.7 61 4 3 1 24.411 48.823 1.86379 59.4 1.5 1.4 5.7 62 3 0 48 24.441 48.881 1.8617 346.4 8.7 8.4 5.7 63 5 1 23 24.565 49.13 1.85285 65.7 1.6 1.6 5.7 64 6 0 12 24.672 49.343 1.84534 49.8 1.2 1.2 5.7 65 3 3 30 24.748 49.496 1.84002 382.1 9.6 9.3 5.7 66 1 1 54 24.95 49.9 1.82605 140.1 3.5 3.4 5.7 67 5 2 3 25.14 50.281 1.81312 232.6 5.8 5.6 5.8 68 5 2 6 25.253 50.507 1.80554 342.0 8.6 8.3 5.8 69 4 1 39 25.29 50.581 1.80307 205.1 5.1 5.0 5.8 70 5 2 9 25.441 50.882 1.79311 282.9 7.1 6.9 5.8 71 5 2 12 25.702 51.403 1.77613 77.5 1.9 1.9 5.8 72 5 2 15 26.034 52.069 1.75499 162.5 4.1 3.9 5.8 73 4 1 42 26.29 52.581 1.73909 286.3 7.2 6.9 5.8 74 3 3 36 26.388 52.776 1.73312 91.7 2.3 2.2 5.8 75 5 1 32 26.614 53.228 1.71946 43.1 1.1 1.0 5.8 76 5 2 21 26.907 53.814 1.70211 93.5 2.3 2.3 5.8 77 4 1 45 27.336 54.671 1.67743 119.9 3.0 2.9 5.8 78 5 2 24 27.443 54.885 1.67139 328.3 8.2 7.9 5.8 79 1 1 60 27.725 55.449 1.65573 86.0 2.2 2.1 5.8 80 2 2 54 27.936 55.871 1.64421 43.9 1.1 1.1 5.8 81 5 2 27 28.041 56.083 1.63851 111.9 2.8 2.7 5.8 82 4 4 3 28.112 56.223 1.63476 42.8 1.1 1.0 5.8 83 3 3 42 28.239 56.478 1.62799 141.9 3.6 3.4 5.8 84 5 3 1 28.398 56.795 1.61964 42.7 1.1 1.0 5.8 85 1 1 63 29.145 58.291 1.58159 76.8 1.9 1.8 5.8 86 4 1 51 29.553 59.107 1.56169 122.4 3.1 2.9 5.8 87 0 0 66 29.677 59.353 1.55579 89.8 2.2 2.2 5.8 88 4 4 21 29.757 59.513 1.55199 165.2 4.1 4.0 5.8 Reference: Chichagov A.V. et al. Information-Calculating System on Crystal Structure Data of Minerals (MINCRYST) - Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian) |