Institute of Experimental Mineralogy
Russian Academy of Sciences
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142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
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*** W W W - X R A Y P O L ***
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AGAITE
1
Pb(3)Cu++TeO(5)(OH)(2)[CO(3)]
Orthorhombic P ca2(1) Z = 4
R =0.033 NR =1913
22 .3 .13
Ref.Str.:
Kampf A.R., Mills S.J., Housley R.M., Marty J. (2013)
* Amer. Mineral., 98, 512-517
R: from from Otto Mountain near Baker, California.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 10.6522 alpha = 90.0
b = 9.163 beta = 90.0
c = 9.6011 gamma = 90.0
Unit cell volume (cub. angs.) = 937.13
Molar volume ( cub.cm/mol.) = 141.12
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3835 0.7337 0.5726 0.0 Pb = 1.00
2 0.8033 0.7102 0.5601 0.0 Pb = 1.00
3 0.6118 0.0381 0.4241 0.0 Pb = 1.00
4 0.6076 0.4391 0.4034 0.0 Cu = 1.00
5 0.3701 0.526 0.2654 0.0 Te = 1.00
6 0.3597 0.0182 0.285 0.0 C = 1.00
7 0.3605 0.0268 0.4147 0.0 O = 1.00
8 0.2545 0.0212 0.2157 0.0 O = 1.00
9 0.4655 0.0042 0.214 0.0 O = 1.00
10 0.2538 0.6677 0.3293 0.0 O = 1.00
11 0.2579 0.3716 0.3093 0.0 O = 1.00
12 0.6933 0.4803 0.5782 0.0 O = 1.00
13 0.5136 0.4012 0.2338 0.0 O = 1.00
14 0.4461 0.5275 0.4492 0.0 O = 1.00
15 0.481 0.6911 0.2088 0.0 OH = 1.00
16 0.5938 0.801 0.4712 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3835 0.7337 0.5726
2 2 0.8033 0.7102 0.5601
3 3 0.6118 0.0381 0.4241
4 4 0.6076 0.4391 0.4034
5 5 0.3701 0.526 0.2654
6 6 0.3597 0.0182 0.285
7 7 0.3605 0.0268 0.4147
8 8 0.2545 0.0212 0.2157
9 9 0.4655 0.0042 0.214
10 10 0.2538 0.6677 0.3293
11 11 0.2579 0.3716 0.3093
12 12 0.6933 0.4803 0.5782
13 13 0.5136 0.4012 0.2338
14 14 0.4461 0.5275 0.4492
15 15 0.481 0.6911 0.2088
16 16 0.5938 0.801 0.4712
17 1 0.6165 0.2663 0.0726
18 2 0.1967 0.2898 0.0601
19 3 0.3882 0.9619 0.924
20 4 0.3924 0.5609 0.9034
21 5 0.6299 0.474 0.7654
22 6 0.6403 0.9818 0.785
23 7 0.6395 0.9732 0.9147
24 8 0.7455 0.9788 0.7157
25 9 0.5345 0.9958 0.714
26 10 0.7462 0.3323 0.8293
27 11 0.7421 0.6284 0.8093
28 12 0.3067 0.5197 0.0782
29 13 0.4864 0.5988 0.7338
30 14 0.5539 0.4725 0.9492
31 15 0.519 0.3089 0.7088
32 16 0.4062 0.199 0.9712
33 1 0.1165 0.7337 0.0726
34 2 0.6967 0.7102 0.0601
35 3 0.8882 0.0381 0.924
36 4 0.8924 0.4391 0.9034
37 5 0.1299 0.526 0.7654
38 6 0.1403 0.0182 0.785
39 7 0.1395 0.0268 0.9147
40 8 0.2455 0.0212 0.7157
41 9 0.0345 0.0042 0.714
42 10 0.2462 0.6677 0.8293
43 11 0.2421 0.3716 0.8093
44 12 0.8067 0.4803 0.0782
45 13 0.9864 0.4012 0.7338
46 14 0.0539 0.5275 0.9492
47 15 0.019 0.6911 0.7088
48 16 0.9062 0.801 0.9712
49 1 0.8835 0.2663 0.5726
50 2 0.3033 0.2898 0.5601
51 3 0.1118 0.9619 0.424
52 4 0.1076 0.5609 0.4034
53 5 0.8701 0.474 0.2654
54 6 0.8597 0.9818 0.285
55 7 0.8605 0.9732 0.4147
56 8 0.7545 0.9788 0.2157
57 9 0.9655 0.9958 0.214
58 10 0.7538 0.3323 0.3293
59 11 0.7579 0.6284 0.3093
60 12 0.1933 0.5197 0.5782
61 13 0.0136 0.5988 0.2338
62 14 0.9461 0.4725 0.4492
63 15 0.981 0.3089 0.2088
64 16 0.0938 0.199 0.4712
X-ray density (g/cm cub.) = 6.99
MU (1/cm) = 1314.177 Mass attenuation coefficient (cm**2/g) = 187.962
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.192 7
3.0937 7
2.7806 10
2.3278 14
2.5192 16
2.2638 13
2.9289 10
2.8201 12
2 Pb 3.192 8
2.4167 12
2.5296 16
2.9442 8
2.5907 11
2.7111 15
2.8508 7
2.5677 11
2.8622 14
3 Pb 3.192 7
2.6804 7
2.5676 9
2.2278 16
3.1882 8
2.9289 9
2.7167 7
2.5706 8
4 Cu 2.856 5
1.9477 12
1.9426 13
1.9516 14
1.9721 10
2.5275 11
5 Te 2.748 6
1.8966 10
1.8996 11
1.933 13
1.9419 14
1.9946 15
1.9205 12
6 C 1.92 3
1.2478 7
1.3035 8
1.3234 9
7 O 3.312 5
2.2199 8
2.2376 9
3.2789 16
3.1393 8
3.2947 16
8 O 3.312 5
2.2199 7
2.2531 9
3.2827 16
3.1393 7
3.0873 9
9 O 3.312 5
2.2376 7
2.2531 8
2.8741 15
3.0032 16
3.0873 8
10 O 3.312 6
2.7203 11
2.678 14
2.691 15
2.8229 12
2.8223 12
2.7903 13
11 O 3.312 7
2.7203 10
2.8316 13
2.8042 14
2.6523 12
2.9967 12
3.1561 15
2.8237 16
12 O 3.312 9
2.9419 14
3.2885 16
2.8229 10
2.6523 11
2.8754 13
2.7361 15
2.8223 10
2.9967 11
2.9649 14
13 O 3.312 6
2.8316 11
2.4765 14
2.6897 15
2.8754 12
2.8421 14
2.7903 10
14 O 3.312 9
2.678 10
2.8042 11
2.9419 12
2.4765 13
2.7772 15
2.9666 16
2.8421 13
3.2905 15
2.9649 12
15 OH 3.36 8
2.8741 9
2.691 10
2.6897 13
2.7772 14
2.9673 16
2.7361 12
3.2905 14
3.1561 11
16 OH 3.36 9
3.2789 7
3.2885 12
2.9666 14
2.9673 15
3.2827 8
3.0032 9
3.3314 13
3.2947 7
2.8237 11
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 1 0 4.822 9.644 0.055 280.03 2 118.6 897.3
2 1 1 0 6.366 12.733 0.072 159.69 4 7.4 4.0
3 1 1 1 7.867 15.733 0.089 103.82 8 90.4 772.7
4 2 0 0 8.315 16.631 0.094 92.68 2 141.0 419.7
5 0 0 2 9.233 18.467 0.104 74.75 2 325.8 1806.9
6 2 0 1 9.52 19.039 0.107 70.2 4 169.6 920.0
7 2 1 0 9.63 19.259 0.109 68.55 4 82.8 214.1
8 0 2 0 9.679 19.358 0.109 67.83 2 79.0 96.5
9 0 1 2 10.436 20.873 0.118 58.04 4 274.3 1989.8
10 1 2 0 10.546 21.091 0.119 56.8 4 50.6 66.3
11 2 1 1 10.692 21.383 0.12 55.2 8 308.9 4797.1
12 1 1 2 11.247 22.495 0.127 49.68 8 111.8 565.5
13 1 2 1 11.527 23.054 0.13 47.2 8 66.3 189.0
14 2 0 2 12.475 24.95 0.14 39.99 4 176.8 569.1
15 2 2 0 12.813 25.626 0.144 37.8 4 194.3 649.8
16 2 1 2 13.403 26.806 0.15 34.37 8 56.0 98.4
17 0 2 2 13.439 26.878 0.151 34.18 4 756.1 8900.5
18 3 1 0 13.453 26.907 0.151 34.1 4 458.8 3270.2
19 2 2 1 13.641 27.282 0.153 33.12 8 638.0 12277.1
20 1 2 2 14.087 28.174 0.158 30.93 8 135.4 516.7
21 3 1 1 14.247 28.493 0.16 30.19 8 104.5 300.6
22 0 3 0 14.607 29.215 0.164 28.63 2 370.7 895.6
23 1 3 0 15.21 30.42 0.17 26.25 4 223.8 598.8
24 1 1 3 15.367 30.734 0.172 25.68 8 201.9 953.9
25 2 2 2 15.886 31.773 0.178 23.9 8 155.4 525.9
26 1 3 1 15.923 31.846 0.178 23.79 8 285.5 1766.7
27 3 2 0 15.93 31.86 0.178 23.76 4 134.1 194.8
28 2 0 3 16.308 32.615 0.182 22.59 4 900.6 8344.8
29 3 1 2 16.417 32.833 0.183 22.27 8 302.0 1849.4
30 3 2 1 16.615 33.231 0.186 21.69 8 98.7 192.6
31 4 0 0 16.813 33.626 0.188 21.14 2 613.5 1812.5
32 2 3 0 16.901 33.802 0.189 20.9 4 125.9 151.0
33 2 1 3 17.044 34.088 0.19 20.52 8 52.0 50.6
34 0 3 2 17.392 34.784 0.194 19.64 4 291.0 757.4
35 4 0 1 17.468 34.935 0.195 19.45 4 287.5 732.7
36 4 1 0 17.531 35.061 0.196 19.3 4 48.7 20.9
37 2 3 1 17.553 35.106 0.196 19.25 8 260.9 1193.5
38 1 2 3 17.6 35.2 0.196 19.14 8 19.9 6.9
39 1 3 2 17.911 35.821 0.2 18.42 8 166.8 466.7
40 4 1 1 18.163 36.325 0.202 17.86 8 42.3 29.1
41 3 2 2 18.537 37.075 0.206 17.08 8 90.0 125.9
42 0 0 4 18.718 37.436 0.208 16.72 2 220.1 184.4
43 2 2 3 19.104 38.208 0.212 15.98 8 153.9 344.6
44 4 0 2 19.316 38.631 0.215 15.6 4 282.8 568.2
45 0 1 4 19.374 38.749 0.215 15.49 4 408.3 1176.1
46 2 3 2 19.394 38.788 0.216 15.46 8 101.9 146.3
47 3 3 0 19.43 38.861 0.216 15.39 4 5.5 0.2
48 4 2 0 19.546 39.092 0.217 15.19 4 228.8 362.3
49 3 1 3 19.557 39.115 0.217 15.17 8 72.5 72.6
50 0 4 0 19.649 39.298 0.218 15.01 2 708.9 1718.6
51 1 1 4 19.848 39.697 0.22 14.68 8 131.0 229.4
52 4 1 2 19.955 39.911 0.222 14.51 8 296.5 1162.2
53 3 3 1 20.011 40.022 0.222 14.42 8 110.9 161.6
54 1 4 0 20.117 40.235 0.223 14.25 4 138.0 123.6
55 4 2 1 20.124 40.247 0.223 14.24 8 165.1 353.5
56 2 0 4 20.609 41.219 0.228 13.5 4 323.4 643.1
57 1 4 1 20.682 41.364 0.229 13.4 8 152.7 284.5
58 1 3 3 20.857 41.713 0.231 13.15 8 96.8 112.2
59 2 1 4 21.217 42.433 0.235 12.65 8 90.5 94.4
60 0 2 4 21.241 42.482 0.235 12.62 4 676.6 2631.6
61 3 2 3 21.41 42.821 0.237 12.4 8 66.8 50.5
62 2 4 0 21.472 42.943 0.238 12.32 4 51.4 14.8
63 3 3 2 21.675 43.349 0.24 12.06 8 441.7 2143.2
64 1 2 4 21.681 43.361 0.24 12.05 8 39.1 16.8
65 4 2 2 21.78 43.561 0.241 11.93 8 450.8 2208.7
66 5 1 0 21.79 43.58 0.241 11.92 4 127.0 87.6
67 0 4 2 21.875 43.749 0.242 11.81 4 265.8 380.2
68 2 4 1 22.008 44.015 0.243 11.65 8 172.6 316.3
69 4 0 3 22.104 44.208 0.244 11.54 4 79.0 32.8
70 2 3 3 22.174 44.348 0.245 11.46 8 207.5 449.4
71 1 4 2 22.305 44.609 0.246 11.31 8 138.7 198.1
72 5 1 1 22.32 44.639 0.247 11.29 8 414.1 1763.6
73 4 3 0 22.566 45.132 0.249 11.01 4 24.3 3.0
74 4 1 3 22.679 45.358 0.25 10.89 8 124.1 152.7
75 2 2 4 22.96 45.92 0.253 10.59 8 95.2 87.5
76 4 3 1 23.082 46.164 0.254 10.46 8 215.4 442.4
77 3 1 4 23.352 46.704 0.257 10.19 8 260.0 627.6
78 5 2 0 23.499 46.999 0.259 10.05 4 8.5 0.3
79 2 4 2 23.557 47.114 0.259 9.99 8 113.1 116.4
80 3 4 0 23.588 47.177 0.26 9.96 4 218.0 215.6
81 5 1 2 23.853 47.707 0.263 9.71 8 80.4 57.2
82 5 2 1 24.0 47.999 0.264 9.58 8 187.6 307.2
83 3 4 1 24.087 48.174 0.265 9.5 8 190.5 314.0
84 0 3 4 24.089 48.177 0.265 9.5 4 148.0 94.8
85 3 3 3 24.242 48.485 0.267 9.36 8 196.0 327.6
86 4 2 3 24.339 48.679 0.268 9.28 8 240.1 487.4
87 1 3 4 24.488 48.976 0.269 9.15 8 98.0 80.1
88 4 3 2 24.579 49.158 0.27 9.07 8 292.2 705.9
89 1 1 5 24.594 49.188 0.27 9.06 8 75.2 46.7
90 1 4 3 24.822 49.643 0.272 8.87 8 84.2 57.3
91 0 5 0 24.855 49.71 0.273 8.85 2 278.9 156.7
92 3 2 4 24.978 49.956 0.274 8.75 8 152.3 184.7
93 2 0 5 25.24 50.481 0.277 8.54 4 350.3 477.3
94 1 5 0 25.245 50.491 0.277 8.54 4 323.9 408.0
95 5 2 2 25.456 50.911 0.279 8.38 8 44.4 15.0
96 3 4 2 25.539 51.079 0.28 8.32 8 276.4 578.8
97 4 0 4 25.596 51.193 0.28 8.27 4 96.0 34.8
98 2 3 4 25.659 51.318 0.281 8.23 8 153.9 177.5
99 6 0 0 25.713 51.427 0.282 8.19 2 129.2 31.1
100 1 5 1 25.72 51.44 0.282 8.18 8 131.1 128.2
101 2 1 5 25.761 51.523 0.282 8.15 8 225.5 377.9
102 2 4 3 25.981 51.963 0.284 8.0 8 511.5 1906.3
103 4 1 4 26.112 52.225 0.286 7.91 8 245.2 432.9
104 5 3 0 26.156 52.313 0.286 7.88 4 33.3 4.0
105 1 2 5 26.163 52.325 0.286 7.87 8 81.8 48.0
106 6 0 1 26.182 52.364 0.286 7.86 4 213.5 163.2
107 6 1 0 26.228 52.455 0.287 7.83 4 104.1 38.6
108 5 1 3 26.257 52.515 0.287 7.81 8 506.9 1827.4
109 4 4 0 26.33 52.661 0.288 7.76 4 452.6 723.9
110 2 5 0 26.392 52.783 0.289 7.72 4 192.2 129.8
111 5 3 1 26.62 53.239 0.291 7.57 8 528.1 1922.2
112 6 1 1 26.69 53.38 0.292 7.52 8 214.0 313.9
113 0 5 2 26.738 53.475 0.292 7.49 4 348.4 414.2
114 4 4 1 26.791 53.583 0.293 7.46 8 97.8 64.9
115 2 5 1 26.852 53.704 0.293 7.42 8 338.1 772.4
116 4 3 3 26.935 53.871 0.294 7.37 8 87.7 51.7
117 1 5 2 27.109 54.217 0.296 7.26 8 123.4 100.7
118 2 2 5 27.282 54.563 0.298 7.16 8 549.1 1965.3
119 3 3 4 27.53 55.061 0.3 7.01 8 416.3 1106.7
120 6 0 2 27.554 55.109 0.3 7.0 4 198.4 125.5
121 4 2 4 27.619 55.238 0.301 6.96 8 310.9 612.7
122 3 1 5 27.628 55.256 0.301 6.95 8 80.7 41.2
123 0 4 4 27.698 55.397 0.302 6.91 4 194.2 118.8
124 6 2 0 27.73 55.46 0.302 6.9 4 102.2 32.8
125 5 2 3 27.759 55.517 0.302 6.88 8 149.1 139.3
126 3 4 3 27.838 55.675 0.303 6.84 8 130.6 106.2
127 5 3 2 27.977 55.954 0.305 6.76 8 160.2 157.9
128 6 1 2 28.045 56.09 0.305 6.72 8 23.7 3.4
129 1 4 4 28.061 56.121 0.305 6.71 8 228.9 320.3
130 4 4 2 28.143 56.286 0.306 6.67 8 64.4 25.2
131 6 2 1 28.175 56.351 0.306 6.65 8 191.5 222.1
132 2 5 2 28.202 56.404 0.307 6.64 8 157.5 150.0
133 3 5 0 28.229 56.459 0.307 6.62 4 521.5 820.2
134 1 3 5 28.641 57.282 0.311 6.41 8 263.3 404.6
135 3 5 1 28.67 57.339 0.311 6.39 8 94.8 52.4
136 0 0 6 28.775 57.55 0.312 6.34 2 800.8 926.0
137 3 2 5 29.081 58.162 0.316 6.19 8 141.0 112.1
138 2 4 4 29.13 58.26 0.316 6.17 8 95.1 50.8
139 0 1 6 29.252 58.504 0.317 6.11 4 51.6 7.4
140 1 5 3 29.322 58.645 0.318 6.08 8 390.2 842.9
141 5 1 4 29.386 58.772 0.319 6.05 8 78.8 34.2
142 6 2 2 29.485 58.97 0.319 6.0 8 125.9 86.7
143 5 4 0 29.588 59.175 0.321 5.96 4 12.5 0.4
144 1 1 6 29.602 59.205 0.321 5.95 8 114.2 70.7
145 4 0 5 29.64 59.28 0.321 5.93 4 127.0 43.6
146 2 3 5 29.697 59.394 0.322 5.91 8 354.2 675.0
147 6 0 3 29.746 59.492 0.322 5.88 4 431.7 499.5
148 3 5 2 29.965 59.931 0.324 5.79 8 201.4 213.9
149 5 4 1 30.015 60.03 0.325 5.77 8 243.2 310.6
150 4 3 4 30.017 60.033 0.325 5.77 8 233.9 287.3
151 4 1 5 30.109 60.217 0.326 5.73 8 84.6 37.3
152 6 3 0 30.122 60.244 0.326 5.72 4 38.8 3.9
153 5 3 3 30.149 60.298 0.326 5.71 8 127.8 85.0
154 2 0 6 30.174 60.348 0.326 5.7 4 103.6 27.9
155 6 1 3 30.214 60.428 0.327 5.68 8 20.3 2.1
156 0 6 0 30.291 60.581 0.327 5.65 2 64.7 5.4
157 4 4 3 30.307 60.615 0.328 5.64 8 32.8 5.5
158 2 5 3 30.364 60.727 0.328 5.62 8 204.4 214.0
159 6 3 1 30.545 61.09 0.33 5.55 8 227.0 260.4
160 1 6 0 30.633 61.267 0.331 5.51 4 78.3 15.4
161 2 1 6 30.638 61.275 0.331 5.51 8 29.9 4.5
162 0 2 6 30.656 61.313 0.331 5.5 4 325.7 265.9
163 4 5 0 30.679 61.358 0.331 5.49 4 43.1 4.7
164 5 2 4 30.786 61.573 0.332 5.45 8 70.4 24.6
165 3 4 4 30.86 61.721 0.333 5.42 8 51.5 13.1
166 7 1 0 30.872 61.743 0.333 5.42 4 410.0 414.7
167 1 2 6 30.997 61.993 0.334 5.37 8 53.1 13.8
168 1 6 1 31.052 62.105 0.335 5.35 8 197.2 189.4
169 4 5 1 31.098 62.195 0.335 5.33 8 128.0 79.6
170 5 4 2 31.277 62.553 0.337 5.26 8 114.4 62.8
171 7 1 1 31.289 62.577 0.337 5.26 8 213.9 219.1
172 3 3 5 31.408 62.816 0.338 5.21 8 141.7 95.4
173 4 2 5 31.49 62.98 0.339 5.19 8 195.2 179.9
174 6 2 3 31.592 63.184 0.34 5.15 8 300.2 422.5
175 2 6 0 31.649 63.297 0.341 5.13 4 38.3 3.4
176 6 3 2 31.794 63.588 0.342 5.08 8 84.3 32.8
177 1 4 5 31.898 63.796 0.343 5.04 8 143.9 95.1
178 0 5 4 31.926 63.852 0.343 5.03 4 464.7 494.8
179 0 6 2 31.958 63.915 0.344 5.02 4 253.6 147.1
180 2 2 6 32.005 64.011 0.344 5.0 8 131.7 79.1
181 3 5 3 32.054 64.108 0.344 4.99 8 270.8 333.1
182 2 6 1 32.06 64.12 0.345 4.99 8 242.3 266.7
183 7 2 0 32.234 64.467 0.346 4.93 4 81.5 14.9
184 1 5 4 32.259 64.518 0.346 4.92 8 71.2 22.7
185 1 6 2 32.29 64.581 0.347 4.91 8 249.2 277.6
186 3 1 6 32.32 64.64 0.347 4.9 8 357.4 570.0
187 4 5 2 32.335 64.669 0.347 4.89 8 197.5 173.9
188 7 1 2 32.522 65.043 0.349 4.83 8 310.1 423.4
189 7 2 1 32.641 65.282 0.35 4.8 8 112.7 55.5
190 6 0 4 32.66 65.321 0.35 4.79 4 187.4 76.6
191 2 4 5 32.891 65.782 0.352 4.72 8 183.4 144.5
192 0 3 6 32.918 65.835 0.353 4.71 4 252.3 136.6
193 5 3 4 33.043 66.085 0.354 4.67 8 114.2 55.5
194 6 1 4 33.104 66.209 0.355 4.65 8 72.7 22.4
195 5 1 5 33.13 66.26 0.355 4.65 8 358.8 544.9
196 4 4 4 33.193 66.387 0.355 4.63 8 114.7 55.5
197 1 3 6 33.245 66.49 0.356 4.61 8 139.4 81.6
198 2 5 4 33.247 66.493 0.356 4.61 8 147.3 91.1
199 2 6 2 33.278 66.555 0.356 4.6 8 15.7 1.0
200 6 4 0 33.293 66.586 0.356 4.6 4 42.5 3.8
201 3 6 0 33.302 66.605 0.356 4.59 4 160.4 53.8
202 5 4 3 33.319 66.637 0.357 4.59 8 266.2 296.4
203 3 2 6 33.65 67.3 0.36 4.5 8 87.3 31.2
204 5 5 0 33.672 67.343 0.36 4.49 4 240.5 118.2
205 6 4 1 33.694 67.387 0.36 4.48 8 6.0 0.1
206 3 6 1 33.703 67.406 0.36 4.48 8 148.8 90.4
207 4 3 5 33.72 67.441 0.36 4.48 8 125.3 64.0
208 6 3 3 33.819 67.638 0.361 4.45 8 106.5 45.9
209 7 2 2 33.848 67.695 0.362 4.44 8 99.8 40.3
210 5 5 1 34.07 68.14 0.364 4.38 8 164.5 108.0
211 4 0 6 34.166 68.331 0.365 4.35 4 538.0 574.1
212 2 3 6 34.218 68.437 0.365 4.34 8 59.6 14.1
213 1 6 3 34.3 68.6 0.366 4.32 8 12.5 0.6
214 4 5 3 34.343 68.686 0.366 4.31 8 208.9 171.3
215 6 2 4 34.419 68.838 0.367 4.29 8 130.0 66.0
216 7 3 0 34.439 68.878 0.367 4.28 4 70.5 9.7
217 5 2 5 34.444 68.888 0.367 4.28 8 75.2 22.1
218 3 4 5 34.514 69.028 0.368 4.26 8 37.3 5.4
219 7 1 3 34.525 69.049 0.368 4.26 8 258.5 259.4
220 4 1 6 34.6 69.2 0.369 4.24 8 46.6 8.4
221 7 3 1 34.833 69.667 0.371 4.19 8 216.0 177.9
222 3 5 4 34.861 69.722 0.371 4.18 8 79.7 24.2
223 6 4 2 34.882 69.764 0.371 4.17 8 58.0 12.8
224 3 6 2 34.891 69.783 0.371 4.17 8 225.3 192.8
225 1 1 7 34.921 69.841 0.372 4.16 8 89.8 30.6
226 5 5 2 35.253 70.505 0.375 4.09 8 5.2 0.1
227 2 6 3 35.259 70.519 0.375 4.08 8 147.3 80.8
228 8 0 0 35.345 70.689 0.376 4.06 2 384.3 136.7
229 2 0 7 35.445 70.89 0.376 4.04 4 185.5 63.4
230 4 6 0 35.552 71.103 0.377 4.02 4 126.1 29.1
231 8 0 1 35.735 71.469 0.379 3.98 4 212.3 81.7
232 8 1 0 35.773 71.545 0.379 3.97 4 40.9 3.0
233 3 3 6 35.812 71.625 0.38 3.96 8 161.9 94.6
234 7 2 3 35.815 71.629 0.38 3.96 8 94.3 32.0
235 1 5 5 35.838 71.677 0.38 3.95 8 174.6 109.8
236 2 1 7 35.872 71.745 0.38 3.95 8 283.5 289.0
237 4 2 6 35.889 71.778 0.381 3.94 8 213.6 163.9
238 4 6 1 35.941 71.881 0.381 3.93 8 18.2 1.2
239 0 4 6 35.957 71.915 0.381 3.93 4 488.8 427.5
240 7 3 2 36.005 72.009 0.382 3.92 8 402.8 579.1
241 0 7 0 36.047 72.094 0.382 3.91 2 332.1 98.2
242 5 4 4 36.078 72.155 0.382 3.9 8 88.9 28.1
243 8 1 1 36.161 72.321 0.383 3.89 8 95.6 32.3
244 1 2 7 36.204 72.409 0.383 3.88 8 81.3 23.3
245 6 0 5 36.221 72.441 0.384 3.87 4 177.6 55.7
246 1 4 6 36.272 72.544 0.384 3.86 8 149.6 78.7
247 1 7 0 36.361 72.723 0.385 3.84 4 102.6 18.4
248 6 3 4 36.561 73.122 0.387 3.8 8 50.2 8.7
249 5 3 5 36.585 73.171 0.387 3.8 8 376.9 491.8
250 6 1 5 36.644 73.289 0.387 3.79 8 239.6 198.1
251 0 6 4 36.714 73.428 0.388 3.77 4 203.8 71.4
252 4 4 5 36.729 73.459 0.388 3.77 8 40.2 5.6
253 1 7 1 36.747 73.494 0.388 3.77 8 268.9 248.3
254 2 5 5 36.78 73.561 0.389 3.76 8 133.3 60.9
255 6 4 3 36.825 73.649 0.389 3.75 8 290.0 287.6
256 3 6 3 36.834 73.668 0.389 3.75 8 135.9 63.1
257 8 0 2 36.894 73.788 0.39 3.74 4 217.5 80.6
258 1 6 4 37.026 74.052 0.391 3.71 8 65.7 14.6
259 8 2 0 37.044 74.088 0.391 3.71 4 262.9 116.9
260 4 5 4 37.068 74.136 0.391 3.71 8 194.3 127.5
261 4 6 2 37.097 74.195 0.392 3.7 8 193.0 125.6
262 2 2 7 37.143 74.285 0.392 3.69 8 409.8 565.0
263 6 5 0 37.163 74.325 0.392 3.69 4 127.2 27.2
264 5 5 3 37.187 74.374 0.392 3.69 8 512.0 879.9
265 2 4 6 37.21 74.419 0.393 3.68 8 98.4 32.5
266 7 1 4 37.244 74.487 0.393 3.67 8 288.1 277.8
267 2 7 0 37.298 74.596 0.393 3.67 4 100.6 16.9
268 8 1 2 37.315 74.629 0.393 3.66 8 241.5 194.5
269 7 4 0 37.423 74.846 0.394 3.64 4 257.7 110.1
270 8 2 1 37.427 74.854 0.394 3.64 8 291.5 281.9
271 5 1 6 37.436 74.872 0.395 3.64 8 114.3 43.4
272 3 1 7 37.437 74.873 0.395 3.64 8 94.8 29.8
273 6 5 1 37.545 75.09 0.396 3.62 8 133.6 58.9
274 0 7 2 37.585 75.169 0.396 3.61 4 334.9 184.6
275 2 7 1 37.68 75.36 0.397 3.6 8 268.4 236.1
276 7 4 1 37.804 75.608 0.398 3.58 8 163.2 86.8
277 1 7 2 37.894 75.788 0.399 3.56 8 259.5 218.5
278 6 2 5 37.905 75.809 0.399 3.56 8 281.0 256.0
279 7 3 3 37.924 75.848 0.399 3.56 8 127.0 52.2
280 2 6 4 37.957 75.913 0.399 3.55 8 36.2 4.2
281 4 3 6 37.997 75.993 0.4 3.54 8 85.3 23.5
282 1 3 7 38.306 76.611 0.402 3.49 8 183.6 107.3
283 3 5 5 38.331 76.661 0.403 3.49 8 95.3 28.9
284 5 6 0 38.359 76.718 0.403 3.49 4 39.4 2.5
285 7 2 4 38.497 76.994 0.404 3.46 8 162.7 83.6
286 8 2 2 38.567 77.135 0.405 3.45 8 208.3 136.6
287 6 5 2 38.684 77.368 0.406 3.44 8 56.4 9.9
288 5 2 6 38.687 77.374 0.406 3.44 8 25.8 2.1
289 3 2 7 38.688 77.376 0.406 3.44 8 12.8 0.5
290 5 6 1 38.737 77.475 0.406 3.43 8 401.6 503.6
291 3 4 6 38.754 77.508 0.406 3.43 8 165.3 85.2
292 8 0 3 38.797 77.594 0.407 3.42 4 315.0 154.6
293 2 7 2 38.818 77.635 0.407 3.42 8 163.3 83.0
294 3 7 0 38.841 77.682 0.407 3.41 4 149.0 34.5
295 7 4 2 38.941 77.882 0.408 3.4 8 262.8 213.8
296 4 6 3 38.997 77.995 0.408 3.39 8 24.5 1.9
297 8 3 0 39.13 78.259 0.41 3.37 4 2.3 0.0
298 4 0 7 39.176 78.353 0.41 3.36 4 260.9 104.3
299 8 1 3 39.211 78.422 0.41 3.36 8 76.4 17.9
300 3 7 1 39.218 78.436 0.41 3.36 8 222.2 151.0
301 2 3 7 39.226 78.452 0.41 3.36 8 77.7 18.5
302 6 4 4 39.483 78.965 0.413 3.32 8 89.4 24.2
303 3 6 4 39.492 78.983 0.413 3.32 8 323.2 316.0
304 8 3 1 39.506 79.011 0.413 3.32 8 62.6 11.9
305 5 4 5 39.507 79.013 0.413 3.32 8 363.8 400.0
306 4 1 7 39.589 79.178 0.414 3.31 8 68.8 14.2
307 0 5 6 39.721 79.442 0.415 3.29 4 230.2 79.4
308 1 7 3 39.782 79.564 0.415 3.28 8 138.0 56.9
309 5 5 4 39.837 79.674 0.416 3.28 8 37.4 4.2
310 5 6 2 39.866 79.732 0.416 3.27 8 105.1 32.9
311 0 0 8 39.928 79.856 0.417 3.26 2 489.4 178.0
312 6 3 5 39.976 79.952 0.417 3.26 8 97.6 28.3
313 1 5 6 40.026 80.051 0.417 3.25 8 280.2 232.5
314 0 1 8 40.339 80.678 0.42 3.21 4 163.1 38.9
315 3 7 2 40.343 80.686 0.42 3.21 8 242.0 171.4
316 6 0 6 40.394 80.789 0.421 3.21 4 94.4 13.0
317 1 6 5 40.428 80.857 0.421 3.2 8 193.6 109.3
318 8 2 3 40.446 80.892 0.421 3.2 8 47.4 6.5
319 4 5 5 40.469 80.938 0.421 3.2 8 175.7 90.0
320 7 3 4 40.559 81.119 0.422 3.19 8 422.0 517.0
321 6 5 3 40.561 81.123 0.422 3.19 8 85.3 21.1
322 8 3 2 40.629 81.258 0.423 3.18 8 143.3 59.4
323 7 1 5 40.64 81.281 0.423 3.18 8 206.9 123.9
324 1 1 8 40.642 81.285 0.423 3.18 8 70.1 14.2
325 2 7 3 40.693 81.387 0.423 3.17 8 257.7 192.0
326 5 3 6 40.747 81.494 0.424 3.17 8 48.0 6.7
327 3 3 7 40.748 81.495 0.424 3.17 8 102.4 30.2
328 6 1 6 40.804 81.608 0.424 3.16 8 93.4 25.1
329 7 4 3 40.815 81.63 0.424 3.16 8 143.7 59.4
330 4 2 7 40.821 81.642 0.424 3.16 8 42.8 5.3
331 4 4 6 40.886 81.773 0.425 3.15 8 329.9 312.3
332 2 5 6 40.936 81.871 0.425 3.15 8 156.2 69.9
333 4 7 0 40.972 81.945 0.426 3.14 4 64.4 5.9
334 9 1 0 41.012 82.023 0.426 3.14 4 277.3 109.8
335 2 0 8 41.141 82.283 0.427 3.12 4 126.3 22.7
336 7 5 0 41.143 82.287 0.427 3.12 4 469.9 314.0
337 1 4 7 41.189 82.379 0.427 3.12 8 137.9 54.0
338 2 6 5 41.337 82.673 0.429 3.1 8 213.6 129.0
339 4 7 1 41.345 82.689 0.429 3.1 8 181.1 92.6
340 9 1 1 41.384 82.768 0.429 3.1 8 130.2 47.8
341 8 0 4 41.418 82.836 0.429 3.09 4 131.2 24.3
342 7 5 1 41.515 83.03 0.43 3.08 8 64.4 11.6
343 2 1 8 41.55 83.099 0.431 3.08 8 72.5 14.8
344 0 2 8 41.566 83.132 0.431 3.08 4 408.7 234.3
345 4 6 4 41.615 83.229 0.431 3.07 8 172.0 82.9
346 6 6 0 41.707 83.413 0.432 3.07 4 56.2 4.4
347 5 6 3 41.73 83.461 0.432 3.06 8 220.3 135.4
348 8 1 4 41.826 83.651 0.433 3.05 8 187.9 98.3
349 7 2 5 41.866 83.731 0.433 3.05 8 46.6 6.0
350 1 2 8 41.868 83.735 0.433 3.05 8 135.4 51.0
351 8 4 0 41.999 83.999 0.434 3.04 4 227.4 71.6
352 6 2 6 42.028 84.057 0.435 3.04 8 94.3 24.6
353 6 6 1 42.078 84.155 0.435 3.03 8 151.3 63.2
354 0 7 4 42.088 84.175 0.435 3.03 4 256.2 90.6
355 2 4 7 42.095 84.189 0.435 3.03 8 202.7 113.4
356 3 7 3 42.203 84.406 0.436 3.02 8 99.0 27.0
357 9 2 0 42.235 84.47 0.436 3.02 4 137.0 25.8
358 0 8 0 42.261 84.523 0.437 3.01 2 33.2 0.8
359 5 1 7 42.314 84.627 0.437 3.01 8 289.2 229.3
360 8 4 1 42.37 84.74 0.437 3.01 8 134.9 49.8
361 1 7 4 42.389 84.777 0.438 3.0 8 194.1 103.0
362 3 5 6 42.444 84.888 0.438 3.0 8 383.2 401.2
363 4 7 2 42.457 84.915 0.438 3.0 8 105.3 30.3
364 8 3 3 42.486 84.973 0.438 3.0 8 155.7 66.2
365 9 1 2 42.497 84.993 0.439 2.99 8 225.5 138.7
366 1 8 0 42.562 85.124 0.439 2.99 4 79.3 8.6
367 9 2 1 42.605 85.211 0.439 2.99 8 56.7 8.8
368 7 5 2 42.627 85.255 0.44 2.98 8 205.1 114.3
369 2 2 8 42.77 85.541 0.441 2.97 8 146.2 57.9
370 6 4 5 42.834 85.667 0.441 2.97 8 60.0 9.7
371 3 6 5 42.842 85.685 0.441 2.97 8 228.8 141.4
372 4 3 7 42.858 85.717 0.442 2.97 8 171.5 79.5
373 1 8 1 42.932 85.864 0.442 2.96 8 212.3 121.5
374 8 2 4 43.045 86.09 0.443 2.95 8 160.8 69.5
375 3 1 8 43.054 86.109 0.443 2.95 8 253.7 172.9
376 6 5 4 43.159 86.319 0.444 2.94 8 13.7 0.5
377 5 5 5 43.183 86.366 0.444 2.94 8 257.5 177.6
378 6 6 2 43.188 86.376 0.444 2.94 8 38.5 4.0
379 2 7 4 43.29 86.58 0.445 2.93 8 124.5 41.4
380 7 4 4 43.411 86.821 0.446 2.92 8 87.8 20.5
381 2 8 0 43.463 86.926 0.447 2.92 4 32.6 1.4
382 8 4 2 43.479 86.959 0.447 2.92 8 26.5 1.9
383 5 2 7 43.532 87.063 0.447 2.92 8 199.0 105.2
384 5 4 6 43.596 87.193 0.448 2.91 8 25.5 1.7
385 3 4 7 43.597 87.194 0.448 2.91 8 191.4 97.1
386 0 3 8 43.598 87.196 0.448 2.91 4 379.7 191.2
387 5 7 0 43.682 87.363 0.448 2.91 4 59.0 4.6
388 9 2 2 43.714 87.428 0.449 2.9 8 77.9 16.1
389 0 8 2 43.74 87.481 0.449 2.9 4 182.7 44.1
390 2 8 1 43.832 87.665 0.45 2.9 8 203.7 109.4
391 7 3 5 43.896 87.792 0.45 2.89 8 203.7 109.3
392 1 3 8 43.898 87.796 0.45 2.89 8 186.6 91.7
393 1 8 2 44.04 88.08 0.451 2.88 8 140.2 51.6
394 5 7 1 44.051 88.101 0.451 2.88 8 239.8 150.9
395 6 3 6 44.058 88.116 0.451 2.88 8 74.3 14.5
396 0 6 6 44.205 88.409 0.453 2.87 4 170.2 37.9
397 9 3 0 44.264 88.527 0.453 2.87 4 173.6 39.4
398 3 2 8 44.271 88.541 0.453 2.87 8 4.7 0.1
399 4 7 3 44.305 88.609 0.453 2.87 8 126.7 41.9
400 5 6 4 44.319 88.638 0.454 2.87 8 137.1 49.1
401 9 1 3 44.344 88.687 0.454 2.86 8 227.7 135.2
402 7 5 3 44.474 88.948 0.455 2.86 8 217.7 123.3
403 1 6 6 44.504 89.009 0.455 2.85 8 126.3 41.5
404 4 5 6 44.545 89.089 0.455 2.85 8 50.3 6.6
405 9 3 1 44.633 89.265 0.456 2.85 8 299.5 232.7
406 7 1 6 44.714 89.428 0.457 2.84 8 343.4 305.3
407 8 0 5 44.746 89.492 0.457 2.84 4 272.5 96.1
408 4 0 8 44.748 89.496 0.457 2.84 4 252.4 82.4
409 3 7 4 44.789 89.578 0.457 2.84 8 263.5 179.5
410 2 3 8 44.797 89.594 0.457 2.84 8 92.3 22.0
411 1 5 7 44.845 89.69 0.458 2.84 8 49.8 6.4
412 2 8 2 44.939 89.878 0.459 2.83 8 85.5 18.8
413 4 6 5 44.942 89.883 0.459 2.83 8 19.5 1.0
414 3 8 0 44.962 89.924 0.459 2.83 4 287.2 106.3
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 1 0 4.822 9.644 9.163 897.3 7.3 7.4 5.6
2 1 1 1 7.867 15.733 5.62798 772.7 6.3 6.3 5.6
3 2 0 0 8.315 16.631 5.3261 419.7 3.4 3.4 5.6
4 0 0 2 9.233 18.467 4.80055 1806.9 14.7 14.8 5.6
5 2 0 1 9.52 19.039 4.65746 920.0 7.5 7.5 5.6
6 2 1 0 9.63 19.259 4.60472 214.1 1.7 1.8 5.6
7 0 1 2 10.436 20.873 4.25231 1989.8 16.2 16.3 5.6
8 2 1 1 10.692 21.383 4.1519 4797.1 39.1 39.2 5.6
9 1 1 2 11.247 22.495 3.94927 565.5 4.6 4.6 5.6
10 1 2 1 11.527 23.054 3.85464 189.0 1.5 1.5 5.6
11 2 0 2 12.475 24.95 3.56587 569.1 4.6 4.6 5.6
12 2 2 0 12.813 25.626 3.47329 649.8 5.3 5.3 5.6
13 0 2 2 13.439 26.878 3.31434 12170.6 99.1 99.2 5.6
14 2 2 1 13.641 27.282 3.26614 12277.1 100.0 100.0 5.6
15 1 2 2 14.087 28.174 3.1647 516.7 4.2 4.2 5.6
16 3 1 1 14.247 28.493 3.12997 300.6 2.4 2.4 5.6
17 0 3 0 14.607 29.215 3.05433 895.6 7.3 7.3 5.6
18 1 3 0 15.21 30.42 2.93602 598.8 4.9 4.9 5.6
19 1 1 3 15.367 30.734 2.90672 953.9 7.8 7.7 5.6
20 2 2 2 15.886 31.773 2.81399 525.9 4.3 4.3 5.6
21 1 3 1 15.923 31.846 2.80768 1961.5 16.0 15.9 5.6
22 2 0 3 16.308 32.615 2.74322 8344.8 68.0 67.7 5.6
23 3 1 2 16.417 32.833 2.7255 1849.4 15.1 15.0 5.6
24 3 2 1 16.615 33.231 2.6938 192.6 1.6 1.6 5.6
25 4 0 0 16.813 33.626 2.66305 1812.5 14.8 14.7 5.7
26 2 3 0 16.901 33.802 2.64958 151.0 1.2 1.2 5.7
27 0 3 2 17.392 34.784 2.57696 757.4 6.2 6.1 5.7
28 4 0 1 17.468 34.935 2.56617 732.7 6.0 5.9 5.7
29 2 3 1 17.553 35.106 2.5541 1214.3 9.9 9.8 5.7
30 1 3 2 17.911 35.821 2.50471 466.7 3.8 3.8 5.7
31 3 2 2 18.537 37.075 2.42286 125.9 1.0 1.0 5.7
32 0 0 4 18.718 37.436 2.40027 184.4 1.5 1.5 5.7
33 2 2 3 19.104 38.208 2.35358 344.6 2.8 2.8 5.7
34 4 0 2 19.316 38.631 2.32873 568.2 4.6 4.6 5.7
35 0 1 4 19.374 38.749 2.32193 1322.4 10.8 10.7 5.7
36 4 2 0 19.546 39.092 2.30236 434.9 3.5 3.5 5.7
37 0 4 0 19.649 39.298 2.29075 1718.6 14.0 13.9 5.7
38 1 1 4 19.848 39.697 2.26866 229.4 1.9 1.8 5.7
39 4 1 2 19.955 39.911 2.25698 1162.2 9.5 9.4 5.7
40 3 3 1 20.011 40.022 2.25099 161.6 1.3 1.3 5.7
41 4 2 1 20.124 40.247 2.23889 477.0 3.9 3.8 5.7
42 2 0 4 20.609 41.219 2.18832 643.1 5.2 5.2 5.7
43 1 4 1 20.682 41.364 2.181 284.5 2.3 2.3 5.7
44 0 2 4 21.241 42.482 2.12616 2726.0 22.2 21.9 5.7
45 3 3 2 21.675 43.349 2.08559 2160.0 17.6 17.3 5.7
46 4 2 2 21.78 43.561 2.07595 2296.2 18.7 18.4 5.7
47 0 4 2 21.875 43.749 2.06743 380.2 3.1 3.1 5.7
48 2 4 1 22.008 44.015 2.05557 316.3 2.6 2.5 5.7
49 2 3 3 22.174 44.348 2.04091 449.4 3.7 3.6 5.7
50 5 1 1 22.32 44.639 2.02826 1961.7 16.0 15.7 5.7
51 4 1 3 22.679 45.358 1.9978 152.7 1.2 1.2 5.7
52 4 3 1 23.082 46.164 1.96476 442.4 3.6 3.5 5.7
53 3 1 4 23.352 46.704 1.94331 627.6 5.1 5.0 5.7
54 3 4 0 23.588 47.177 1.92492 215.6 1.8 1.7 5.7
55 5 2 1 24.0 47.999 1.89384 307.2 2.5 2.5 5.7
56 3 4 1 24.087 48.174 1.88736 408.8 3.3 3.3 5.7
57 3 3 3 24.242 48.485 1.87599 327.6 2.7 2.6 5.7
58 4 2 3 24.339 48.679 1.86897 487.4 4.0 3.9 5.7
59 4 3 2 24.579 49.158 1.85187 752.5 6.1 6.0 5.7
60 0 5 0 24.855 49.71 1.8326 156.7 1.3 1.2 5.7
61 3 2 4 24.978 49.956 1.82413 184.7 1.5 1.5 5.7
62 2 0 5 25.24 50.481 1.80641 885.4 7.2 7.0 5.8
63 3 4 2 25.539 51.079 1.78664 578.8 4.7 4.6 5.8
64 2 3 4 25.659 51.318 1.77887 177.5 1.4 1.4 5.8
65 1 5 1 25.72 51.44 1.77494 159.3 1.3 1.3 5.8
66 2 1 5 25.761 51.523 1.77229 377.9 3.1 3.0 5.8
67 2 4 3 25.981 51.963 1.75831 1906.3 15.5 15.1 5.8
68 4 1 4 26.112 52.225 1.75011 432.9 3.5 3.4 5.8
69 6 0 1 26.182 52.364 1.74577 215.2 1.8 1.7 5.8
70 5 1 3 26.257 52.515 1.74112 1827.4 14.9 14.5 5.8
71 4 4 0 26.33 52.661 1.73664 723.9 5.9 5.7 5.8
72 2 5 0 26.392 52.783 1.73289 129.8 1.1 1.0 5.8
73 5 3 1 26.62 53.239 1.71912 1922.2 15.7 15.2 5.8
74 6 1 1 26.69 53.38 1.71492 313.9 2.6 2.5 5.8
75 0 5 2 26.738 53.475 1.71209 414.2 3.4 3.3 5.8
76 2 5 1 26.852 53.704 1.70534 772.4 6.3 6.1 5.8
77 2 2 5 27.282 54.563 1.6805 1965.3 16.0 15.6 5.8
78 3 3 4 27.53 55.061 1.66648 1232.1 10.0 9.8 5.8
79 4 2 4 27.619 55.238 1.66155 653.9 5.3 5.2 5.8
80 5 2 3 27.759 55.517 1.65386 172.1 1.4 1.4 5.8
81 5 3 2 27.977 55.954 1.64197 157.9 1.3 1.2 5.8
82 1 4 4 28.061 56.121 1.63748 323.8 2.6 2.6 5.8
83 6 2 1 28.175 56.351 1.63135 372.1 3.0 2.9 5.8
84 3 5 0 28.229 56.459 1.62849 820.2 6.7 6.5 5.8
85 1 3 5 28.641 57.282 1.60704 457.0 3.7 3.6 5.8
86 0 0 6 28.775 57.55 1.60018 926.0 7.5 7.3 5.8
87 1 5 3 29.322 58.645 1.57289 842.9 6.9 6.6 5.8
88 2 3 5 29.697 59.394 1.55483 675.0 5.5 5.3 5.8
89 6 0 3 29.746 59.492 1.55249 499.5 4.1 3.9 5.8
90 3 5 2 29.965 59.931 1.54217 213.9 1.7 1.7 5.8
91 5 4 1 30.015 60.03 1.53985 597.9 4.9 4.7 5.8
92 2 5 3 30.364 60.727 1.52384 214.0 1.7 1.7 5.8
93 6 3 1 30.545 61.09 1.51566 260.4 2.1 2.0 5.8
94 0 2 6 30.656 61.313 1.51069 290.4 2.4 2.3 5.8
95 7 1 0 30.872 61.743 1.50118 427.8 3.5 3.4 5.8
96 1 6 1 31.052 62.105 1.49331 189.4 1.5 1.5 5.8
97 7 1 1 31.289 62.577 1.48316 281.9 2.3 2.2 5.8
98 4 2 5 31.49 62.98 1.47465 179.9 1.5 1.4 5.9
99 6 2 3 31.592 63.184 1.47036 422.5 3.4 3.3 5.9
100 0 5 4 31.926 63.852 1.45659 589.9 4.8 4.6 5.9
101 0 6 2 31.958 63.915 1.4553 147.1 1.2 1.1 5.9
102 3 5 3 32.054 64.108 1.4514 599.8 4.9 4.7 5.9
103 1 6 2 32.29 64.581 1.44191 277.6 2.3 2.2 5.9
104 3 1 6 32.32 64.64 1.44073 743.9 6.1 5.8 5.9
105 7 1 2 32.522 65.043 1.43276 423.4 3.4 3.3 5.9
106 6 0 4 32.66 65.321 1.42735 132.1 1.1 1.0 5.9
107 2 4 5 32.891 65.782 1.41844 281.1 2.3 2.2 5.9
108 5 1 5 33.13 66.26 1.40937 567.3 4.6 4.4 5.9
109 2 5 4 33.247 66.493 1.405 172.8 1.4 1.3 5.9
110 5 4 3 33.319 66.637 1.40231 355.0 2.9 2.8 5.9
111 5 5 0 33.672 67.343 1.38931 149.5 1.2 1.2 5.9
112 3 6 1 33.703 67.406 1.38817 154.4 1.3 1.2 5.9
113 4 0 6 34.166 68.331 1.37161 574.1 4.7 4.5 5.9
114 4 5 3 34.343 68.686 1.36539 171.3 1.4 1.3 5.9
115 7 1 3 34.525 69.049 1.35909 264.8 2.2 2.1 5.9
116 7 3 1 34.833 69.667 1.34855 202.1 1.6 1.6 5.9
117 3 6 2 34.891 69.783 1.34659 236.2 1.9 1.8 5.9
118 8 0 0 35.345 70.689 1.33152 136.7 1.1 1.1 5.9
119 1 5 5 35.838 71.677 1.31559 236.4 1.9 1.8 5.9
120 2 1 7 35.872 71.745 1.31451 452.9 3.7 3.5 5.9
121 0 4 6 35.957 71.915 1.31182 428.7 3.5 3.3 5.9
122 7 3 2 36.005 72.009 1.31033 579.1 4.7 4.5 5.9
123 5 3 5 36.585 73.171 1.29237 500.5 4.1 3.8 6.0
124 6 1 5 36.644 73.289 1.29058 198.1 1.6 1.5 6.0
125 1 7 1 36.747 73.494 1.28749 248.3 2.0 1.9 6.0
126 6 4 3 36.825 73.649 1.28515 350.7 2.9 2.7 6.0
127 4 5 4 37.068 74.136 1.27792 384.7 3.1 3.0 6.0
128 2 2 7 37.143 74.285 1.27572 592.2 4.8 4.5 6.0
129 5 5 3 37.187 74.374 1.27441 912.4 7.4 7.0 6.0
130 7 1 4 37.244 74.487 1.27276 277.8 2.3 2.1 6.0
131 8 1 2 37.315 74.629 1.27069 211.4 1.7 1.6 6.0
132 8 2 1 37.427 74.854 1.26743 465.2 3.8 3.6 6.0
133 0 7 2 37.585 75.169 1.26289 184.6 1.5 1.4 6.0
134 2 7 1 37.68 75.36 1.26017 236.1 1.9 1.8 6.0
135 6 2 5 37.905 75.809 1.25381 526.7 4.3 4.0 6.0
136 1 3 7 38.306 76.611 1.24267 136.2 1.1 1.0 6.0
137 8 2 2 38.567 77.135 1.23554 136.6 1.1 1.0 6.0
138 5 6 1 38.737 77.475 1.23097 588.8 4.8 4.5 6.0
139 8 0 3 38.797 77.594 1.22937 237.6 1.9 1.8 6.0
140 7 4 2 38.941 77.882 1.22555 213.8 1.7 1.6 6.0
141 2 3 7 39.226 78.452 1.21806 187.4 1.5 1.4 6.0
142 5 4 5 39.507 79.013 1.21081 752.1 6.1 5.7 6.0
143 0 0 8 39.928 79.856 1.20014 178.0 1.5 1.3 6.0
144 1 5 6 40.026 80.051 1.19771 232.5 1.9 1.8 6.0
145 3 7 2 40.343 80.686 1.18987 210.3 1.7 1.6 6.1
146 7 3 4 40.559 81.119 1.18462 538.1 4.4 4.1 6.1
147 7 1 5 40.64 81.281 1.18267 197.5 1.6 1.5 6.1
148 2 7 3 40.693 81.387 1.18139 192.0 1.6 1.4 6.1
149 4 4 6 40.886 81.773 1.17679 312.3 2.5 2.4 6.1
150 7 5 0 41.143 82.287 1.17074 336.7 2.7 2.5 6.1
151 2 6 5 41.337 82.673 1.16624 221.6 1.8 1.7 6.1
152 0 2 8 41.566 83.132 1.16097 249.1 2.0 1.9 6.1
153 5 6 3 41.73 83.461 1.15723 139.8 1.1 1.1 6.1
154 2 4 7 42.095 84.189 1.14906 267.3 2.2 2.0 6.1
155 5 1 7 42.314 84.627 1.14422 229.3 1.9 1.7 6.1
156 1 7 4 42.389 84.777 1.14258 152.8 1.2 1.1 6.1
157 3 5 6 42.444 84.888 1.14138 431.5 3.5 3.2 6.1
158 9 1 2 42.497 84.993 1.14023 204.9 1.7 1.5 6.1
159 7 5 2 42.627 85.255 1.1374 123.1 1.0 0.9 6.1
160 4 3 7 42.858 85.717 1.13245 230.6 1.9 1.7 6.1
161 3 1 8 43.054 86.109 1.1283 242.4 2.0 1.8 6.1
162 5 5 5 43.183 86.366 1.1256 181.6 1.5 1.4 6.1
163 0 3 8 43.598 87.196 1.117 290.0 2.4 2.2 6.2
164 7 3 5 43.896 87.792 1.11095 201.0 1.6 1.5 6.2
165 5 7 1 44.051 88.101 1.10785 217.0 1.8 1.6 6.2
166 9 1 3 44.344 88.687 1.10204 226.2 1.8 1.7 6.2
167 7 5 3 44.474 88.948 1.09948 164.8 1.3 1.2 6.2
168 9 3 1 44.633 89.265 1.09639 232.7 1.9 1.7 6.2
169 7 1 6 44.714 89.428 1.09482 305.3 2.5 2.3 6.2
170 8 0 5 44.746 89.492 1.0942 178.5 1.5 1.3 6.2
171 3 7 4 44.789 89.578 1.09337 201.6 1.6 1.5 6.2
172 3 8 0 44.962 89.924 1.09007 126.1 1.0 0.9 6.2
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)
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