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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MARRITE
1
PbAgAsS(3)
Monoclinic P 2(1)/a Z = 4
P2(1)/a
6 .4 .1988
Ref.Str.:
Wuensch B.J., Nowacki W. (1967)
* Z. Kristallogr., 125, 459-488
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.2705 alpha = 90.0
b = 12.6319 beta = 91.2
c = 5.9853 gamma = 90.0
Unit cell volume (cub. angs.) = 549.57
Molar volume ( cub.cm/mol.) = 82.76
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3557 0.0906 0.2786 0.92 As = 1.00
2 0.3383 0.4111 0.2521 1.11 Pb = 1.00
3 0.3882 0.7633 0.1851 2.3 Ag = 1.00
4 0.146 0.215 0.382 1.1 S = 1.00
5 0.153 0.623 0.093 0.9 S = 1.00
6 0.166 0.948 0.287 1.1 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3557 0.0906 0.2786
2 2 0.3383 0.4111 0.2521
3 3 0.3882 0.7633 0.1851
4 4 0.146 0.215 0.382
5 5 0.153 0.623 0.093
6 6 0.166 0.948 0.287
7 1 0.6443 0.9094 0.7214
8 2 0.6617 0.5889 0.7479
9 3 0.6118 0.2367 0.8149
10 4 0.854 0.785 0.618
11 5 0.847 0.377 0.907
12 6 0.834 0.052 0.713
13 1 0.8557 0.4094 0.2786
14 2 0.8383 0.0889 0.2521
15 3 0.8882 0.7367 0.1851
16 4 0.646 0.285 0.382
17 5 0.653 0.877 0.093
18 6 0.666 0.552 0.287
19 1 0.1443 0.5906 0.7214
20 2 0.1617 0.9111 0.7479
21 3 0.1118 0.2633 0.8149
22 4 0.354 0.715 0.618
23 5 0.347 0.123 0.907
24 6 0.334 0.448 0.713
X-ray density (g/cm cub.) = 5.87
MU (1/cm) = 1043.944 Mass attenuation coefficient (cm**2/g) = 177.723
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 As 3.012 3
2.2839 4
2.2699 6
2.2611 5
2 Pb 3.696 6
2.9565 4
3.1357 5
2.8414 4
2.9778 6
2.7985 6
3.2597 6
3 Ag 3.54 6
2.5158 5
2.9097 6
2.4734 5
3.3947 6
2.6785 4
3.4525 4
4 S 4.368 9
3.4239 6
4.3673 5
4.0911 5
3.674 6
3.7412 4
3.7412 4
3.6287 5
3.4268 5
3.7871 6
5 S 4.368 9
4.2669 6
4.3673 4
4.0911 4
3.9676 5
3.9853 6
3.8551 6
3.6287 4
3.4268 4
3.4521 6
6 S 4.368 9
3.4239 4
4.2669 5
3.674 4
3.783 6
4.3598 6
3.8551 5
3.9853 5
3.7871 4
3.4521 5
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 2 0 7.005 14.01 0.079 131.51 2 0.0 0.0
2 1 1 0 7.023 14.045 0.079 130.84 4 70.0 848.9
3 0 0 1 7.396 14.792 0.084 117.75 2 36.7 104.9
4 0 1 1 8.189 16.378 0.092 95.64 4 55.6 391.7
5 1 2 0 9.298 18.595 0.105 73.69 4 118.4 1367.1
6 1 1 -1 10.132 20.264 0.114 61.71 4 114.4 1070.4
7 0 2 1 10.214 20.428 0.115 60.69 4 47.7 182.6
8 1 1 1 10.319 20.639 0.116 59.42 4 62.8 310.1
9 1 2 -1 11.84 23.681 0.133 44.62 4 87.6 453.1
10 1 2 1 12.002 24.005 0.135 43.37 4 109.7 691.0
11 1 3 0 12.205 24.41 0.137 41.87 4 40.1 89.1
12 2 0 0 12.236 24.472 0.138 41.65 2 179.1 884.3
13 2 1 0 12.741 25.481 0.143 38.26 4 29.5 44.1
14 0 3 1 12.926 25.851 0.145 37.11 4 425.5 8898.9
15 0 4 0 14.118 28.236 0.158 30.78 2 91.9 172.2
16 2 2 0 14.154 28.307 0.159 30.62 4 95.3 368.5
17 2 0 -1 14.22 28.441 0.159 30.31 2 360.0 2601.8
18 1 3 -1 14.262 28.525 0.16 30.12 4 48.4 93.3
19 1 3 1 14.399 28.798 0.161 29.52 4 24.4 23.2
20 2 0 1 14.493 28.986 0.162 29.11 2 392.0 2961.9
21 2 1 -1 14.661 29.323 0.164 28.4 4 105.8 420.8
22 0 0 2 14.919 29.837 0.167 27.36 2 481.5 4200.0
23 2 1 1 14.927 29.853 0.167 27.33 4 78.8 224.7
24 0 1 2 15.341 30.683 0.172 25.77 4 201.1 1380.9
25 1 4 0 15.423 30.846 0.173 25.48 4 147.2 730.7
26 2 2 -1 15.918 31.836 0.178 23.8 4 17.2 9.3
27 0 4 1 16.01 32.019 0.179 23.51 4 5.1 0.8
28 2 2 1 16.164 32.329 0.181 23.03 4 5.0 0.8
29 2 3 0 16.258 32.517 0.182 22.74 4 563.9 9574.5
30 1 1 -2 16.439 32.878 0.184 22.2 4 147.6 640.5
31 0 2 2 16.551 33.103 0.185 21.88 4 88.6 227.3
32 1 1 2 16.678 33.357 0.186 21.52 4 22.5 14.4
33 1 4 -1 17.127 34.254 0.191 20.31 4 42.8 49.3
34 1 4 1 17.243 34.486 0.192 20.01 4 25.3 16.9
35 1 2 -2 17.581 35.163 0.196 19.18 4 124.3 392.5
36 1 2 2 17.807 35.615 0.199 18.65 4 217.9 1173.2
37 2 3 -1 17.836 35.671 0.199 18.59 4 55.7 76.4
38 2 3 1 18.059 36.118 0.201 18.09 4 108.5 282.1
39 0 3 2 18.411 36.821 0.205 17.34 4 77.7 138.5
40 1 5 0 18.831 37.663 0.21 16.5 4 66.1 95.5
41 2 4 0 18.852 37.705 0.21 16.46 4 105.1 240.5
42 3 1 0 18.887 37.774 0.21 16.39 4 145.6 460.2
43 2 0 -2 19.27 38.54 0.214 15.68 2 46.8 22.8
44 0 5 1 19.327 38.653 0.215 15.58 4 15.4 4.9
45 1 3 -2 19.354 38.709 0.215 15.53 4 3.5 0.3
46 1 3 2 19.563 39.125 0.217 15.16 4 37.2 27.8
47 2 1 -2 19.609 39.219 0.218 15.08 4 66.7 88.7
48 2 0 2 19.686 39.373 0.219 14.95 2 202.1 404.2
49 3 2 0 19.907 39.814 0.221 14.59 4 12.8 3.2
50 2 1 2 20.02 40.04 0.222 14.4 4 79.9 121.8
51 3 1 -1 20.236 40.472 0.225 14.06 4 50.9 48.3
52 2 4 -1 20.254 40.508 0.225 14.04 4 104.1 201.4
53 1 5 -1 20.285 40.569 0.225 13.99 4 158.1 462.9
54 1 5 1 20.385 40.77 0.226 13.84 4 208.6 797.3
55 2 4 1 20.455 40.909 0.227 13.73 4 58.6 62.4
56 3 1 1 20.537 41.074 0.228 13.61 4 11.1 2.2
57 2 2 -2 20.599 41.199 0.228 13.52 4 214.8 825.9
58 0 4 2 20.772 41.544 0.23 13.27 4 94.0 155.2
59 2 2 2 20.994 41.988 0.233 12.96 4 46.2 36.6
60 3 2 -1 21.202 42.404 0.235 12.67 4 143.7 346.8
61 0 6 0 21.461 42.923 0.237 12.33 2 452.6 1672.5
62 3 2 1 21.492 42.983 0.238 12.29 4 161.1 422.3
63 3 3 0 21.517 43.035 0.238 12.26 4 29.0 13.6
64 1 4 -2 21.629 43.258 0.239 12.12 4 96.4 149.0
65 2 5 0 21.797 43.594 0.241 11.91 4 24.5 9.5
66 1 4 2 21.819 43.639 0.241 11.88 4 130.9 269.6
67 2 3 -2 22.168 44.337 0.245 11.46 4 358.4 1950.0
68 1 6 0 22.39 44.78 0.247 11.21 4 49.9 36.9
69 2 3 2 22.541 45.081 0.249 11.04 4 392.3 2250.8
70 0 0 3 22.716 45.433 0.251 10.85 2 19.3 2.7
71 3 3 -1 22.737 45.475 0.251 10.83 4 65.3 61.2
72 0 6 1 22.821 45.642 0.252 10.74 4 16.2 3.7
73 3 3 1 23.011 46.023 0.254 10.54 4 8.3 1.0
74 0 1 3 23.014 46.028 0.254 10.53 4 106.5 158.3
75 2 5 -1 23.051 46.101 0.254 10.5 4 110.3 169.1
76 2 5 1 23.232 46.463 0.256 10.31 4 16.9 3.9
77 0 5 2 23.519 47.037 0.259 10.03 4 67.0 59.7
78 3 4 0 23.622 47.244 0.26 9.93 4 33.1 14.4
79 1 6 -1 23.663 47.327 0.261 9.89 4 67.6 59.8
80 1 6 1 23.752 47.505 0.261 9.81 4 36.2 17.0
81 1 1 -3 23.762 47.524 0.262 9.8 4 73.7 70.4
82 0 2 3 23.889 47.779 0.263 9.68 4 129.7 215.7
83 1 1 3 24.027 48.055 0.264 9.55 4 63.1 50.4
84 3 1 -2 24.169 48.338 0.266 9.43 4 148.2 274.1
85 2 4 -2 24.228 48.457 0.266 9.38 4 236.2 692.5
86 1 5 -2 24.299 48.597 0.267 9.31 4 131.5 213.4
87 1 5 2 24.473 48.946 0.269 9.16 4 58.8 41.9
88 2 4 2 24.576 49.153 0.27 9.08 4 82.3 81.3
89 1 2 -3 24.617 49.234 0.27 9.04 4 56.5 38.2
90 3 1 2 24.691 49.382 0.271 8.98 4 173.1 356.2
91 3 4 -1 24.761 49.521 0.272 8.92 4 61.3 44.4
92 1 2 3 24.876 49.751 0.273 8.83 4 4.8 0.3
93 2 6 0 25.013 50.026 0.274 8.72 4 107.4 133.2
94 3 2 -2 25.014 50.027 0.274 8.72 4 59.2 40.5
95 3 4 1 25.018 50.036 0.275 8.72 4 28.1 9.1
96 4 0 0 25.08 50.159 0.275 8.67 2 390.0 873.0
97 0 3 3 25.297 50.594 0.277 8.5 4 348.5 1366.9
98 4 1 0 25.356 50.712 0.278 8.45 4 157.2 276.6
99 3 2 2 25.523 51.045 0.28 8.33 4 49.8 27.3
100 2 0 -3 25.887 51.774 0.283 8.06 2 287.8 442.2
101 1 3 -3 25.996 51.991 0.285 7.99 4 33.0 11.5
102 1 7 0 26.092 52.183 0.285 7.92 4 46.3 22.5
103 4 0 -1 26.13 52.259 0.286 7.89 2 97.2 49.4
104 3 5 0 26.135 52.27 0.286 7.89 4 96.6 97.6
105 2 6 -1 26.148 52.296 0.286 7.88 4 316.9 1048.2
106 2 1 -3 26.157 52.314 0.286 7.88 4 171.9 308.3
107 4 2 0 26.172 52.345 0.286 7.86 4 28.2 8.3
108 1 3 3 26.244 52.488 0.287 7.82 4 8.4 0.7
109 2 6 1 26.313 52.626 0.288 7.77 4 342.3 1205.8
110 3 3 -2 26.377 52.754 0.288 7.73 4 5.3 0.3
111 2 0 3 26.384 52.767 0.288 7.72 2 375.1 719.6
112 4 1 -1 26.398 52.796 0.289 7.71 4 48.4 24.0
113 4 0 1 26.459 52.919 0.289 7.67 2 141.7 102.0
114 0 7 1 26.477 52.954 0.289 7.66 4 134.5 183.6
115 0 6 2 26.575 53.151 0.29 7.6 4 354.3 1263.0
116 2 1 3 26.65 53.301 0.291 7.55 4 46.3 21.4
117 2 5 -2 26.699 53.398 0.292 7.52 4 75.7 57.0
118 4 1 1 26.726 53.451 0.292 7.5 4 17.1 2.9
119 3 3 2 26.867 53.735 0.293 7.41 4 8.6 0.7
120 2 2 -3 26.956 53.913 0.294 7.35 4 40.2 15.7
121 2 5 2 27.024 54.048 0.295 7.31 4 35.7 12.4
122 0 4 3 27.178 54.355 0.296 7.22 4 101.2 98.0
123 4 2 -1 27.192 54.385 0.297 7.21 4 135.3 174.8
124 3 5 -1 27.196 54.392 0.297 7.21 4 50.8 24.6
125 1 7 -1 27.235 54.469 0.297 7.18 4 23.3 5.2
126 1 6 -2 27.291 54.582 0.298 7.15 4 24.5 5.7
127 1 7 1 27.315 54.63 0.298 7.14 4 17.0 2.7
128 3 5 1 27.437 54.874 0.299 7.06 4 14.6 2.0
129 2 2 3 27.439 54.879 0.299 7.06 4 26.3 6.5
130 1 6 2 27.451 54.902 0.299 7.06 4 10.5 1.0
131 4 3 0 27.495 54.99 0.3 7.03 4 221.6 457.2
132 4 2 1 27.513 55.026 0.3 7.02 4 78.1 56.8
133 1 4 -3 27.843 55.686 0.303 6.83 4 10.4 1.0
134 1 4 3 28.08 56.161 0.306 6.7 4 75.4 50.4
135 3 4 -2 28.207 56.415 0.307 6.63 4 13.9 1.7
136 2 3 -3 28.254 56.507 0.307 6.61 4 84.2 62.0
137 2 7 0 28.462 56.924 0.309 6.5 4 100.3 86.7
138 4 3 -1 28.482 56.965 0.31 6.49 4 212.6 388.5
139 3 4 2 28.676 57.353 0.311 6.39 4 69.8 41.3
140 2 3 3 28.722 57.444 0.312 6.37 4 122.1 125.7
141 4 3 1 28.794 57.587 0.313 6.33 4 257.1 554.5
142 3 6 0 28.992 57.985 0.315 6.23 4 43.2 15.4
143 0 8 0 29.198 58.396 0.317 6.14 2 17.1 1.2
144 4 4 0 29.278 58.556 0.317 6.1 4 32.2 8.4
145 4 0 -2 29.426 58.853 0.319 6.03 2 219.6 192.5
146 0 5 3 29.474 58.948 0.319 6.01 4 2.2 0.0
147 2 7 -1 29.504 59.009 0.32 5.99 4 113.0 101.4
148 2 6 -2 29.52 59.039 0.32 5.99 4 55.0 24.0
149 2 7 1 29.657 59.314 0.321 5.92 4 76.0 45.3
150 4 1 -2 29.675 59.349 0.321 5.92 4 250.4 491.3
151 2 6 2 29.824 59.648 0.323 5.85 4 140.1 152.0
152 0 7 2 29.899 59.799 0.324 5.82 4 118.4 108.0
153 3 1 -3 29.919 59.837 0.324 5.81 4 21.6 3.6
154 1 8 0 29.948 59.895 0.324 5.8 4 100.3 77.3
155 3 6 -1 29.986 59.971 0.324 5.78 4 57.4 25.2
156 2 4 -3 30.007 60.015 0.325 5.77 4 152.7 178.2
157 4 0 2 30.034 60.069 0.325 5.76 2 278.3 295.4
158 1 5 -3 30.106 60.212 0.326 5.73 4 21.9 3.7
159 3 6 1 30.212 60.424 0.327 5.68 4 2.9 0.1
160 4 4 -1 30.228 60.456 0.327 5.68 4 156.6 184.5
161 4 1 2 30.28 60.559 0.327 5.66 4 4.0 0.1
162 0 8 1 30.3 60.6 0.327 5.65 4 70.8 37.5
163 1 5 3 30.332 60.664 0.328 5.63 4 131.1 128.3
164 4 2 -2 30.412 60.824 0.329 5.6 4 40.0 11.9
165 3 5 -2 30.453 60.906 0.329 5.58 4 118.1 103.2
166 2 4 3 30.459 60.918 0.329 5.58 4 123.7 113.0
167 4 4 1 30.528 61.056 0.33 5.55 4 139.1 142.3
168 1 7 -2 30.564 61.128 0.33 5.54 4 23.2 3.9
169 3 1 3 30.595 61.191 0.33 5.53 4 5.3 0.2
170 3 2 -3 30.652 61.305 0.331 5.5 4 39.2 11.2
171 1 7 2 30.713 61.426 0.332 5.48 4 16.6 2.0
172 3 5 2 30.901 61.801 0.333 5.41 4 175.3 220.0
173 0 0 4 30.99 61.981 0.334 5.37 2 208.4 154.4
174 1 8 -1 30.996 61.993 0.334 5.37 4 159.0 179.6
175 4 2 2 31.008 62.017 0.334 5.36 4 19.6 2.7
176 1 8 1 31.07 62.141 0.335 5.34 4 74.0 38.7
177 0 1 4 31.231 62.462 0.337 5.28 4 95.9 64.3
178 3 2 3 31.32 62.64 0.337 5.25 4 93.9 61.3
179 4 5 0 31.476 62.952 0.339 5.19 4 95.8 63.0
180 4 3 -2 31.618 63.237 0.34 5.14 4 128.3 112.0
181 1 1 -4 31.806 63.612 0.342 5.07 4 95.9 61.8
182 3 3 -3 31.853 63.707 0.343 5.06 4 18.4 2.3
183 0 2 4 31.947 63.895 0.343 5.02 4 153.0 155.8
184 1 1 4 32.098 64.196 0.345 4.97 4 44.0 12.7
185 2 8 0 32.133 64.265 0.345 4.96 4 38.7 9.8
186 0 6 3 32.139 64.277 0.345 4.96 4 20.5 2.8
187 3 7 0 32.156 64.312 0.345 4.95 4 133.0 116.0
188 2 5 -3 32.176 64.352 0.346 4.95 4 119.1 92.9
189 4 3 2 32.202 64.404 0.346 4.94 4 219.6 315.5
190 5 1 0 32.232 64.463 0.346 4.93 4 86.4 48.7
191 4 5 -1 32.388 64.775 0.348 4.88 4 17.3 1.9
192 3 3 3 32.507 65.014 0.349 4.84 4 2.5 0.0
193 1 2 -4 32.515 65.031 0.349 4.84 4 111.2 79.3
194 2 5 3 32.61 65.22 0.35 4.81 4 85.8 46.8
195 2 7 -2 32.653 65.306 0.35 4.79 4 77.6 38.2
196 4 5 1 32.677 65.353 0.35 4.78 4 9.5 0.6
197 1 6 -3 32.741 65.482 0.351 4.76 4 16.5 1.7
198 1 2 4 32.804 65.607 0.352 4.74 4 169.2 179.9
199 5 2 0 32.936 65.872 0.353 4.7 4 69.2 29.9
200 2 7 2 32.941 65.881 0.353 4.7 4 97.1 58.8
201 1 6 3 32.956 65.913 0.353 4.7 4 29.2 5.3
202 3 6 -2 33.072 66.144 0.354 4.66 4 4.0 0.1
203 3 7 -1 33.094 66.187 0.354 4.66 4 69.4 29.7
204 5 1 -1 33.096 66.193 0.354 4.66 4 64.6 25.7
205 2 8 -1 33.106 66.212 0.355 4.65 4 31.4 6.1
206 0 3 4 33.122 66.244 0.355 4.65 4 62.0 23.6
207 2 8 1 33.249 66.498 0.356 4.61 4 13.1 1.1
208 4 4 -2 33.266 66.531 0.356 4.61 4 20.1 2.5
209 3 7 1 33.308 66.616 0.356 4.59 4 43.0 11.2
210 5 1 1 33.453 66.906 0.358 4.55 4 72.6 31.8
211 0 8 2 33.477 66.953 0.358 4.54 4 42.1 10.6
212 3 4 -3 33.494 66.989 0.358 4.54 4 107.9 70.0
213 3 6 2 33.5 67.0 0.358 4.54 4 57.9 20.2
214 2 0 -4 33.552 67.103 0.359 4.52 2 19.8 1.2
215 1 3 -4 33.68 67.359 0.36 4.49 4 37.3 8.3
216 2 1 -4 33.782 67.565 0.361 4.46 4 154.6 141.0
217 5 2 -1 33.791 67.582 0.361 4.46 4 58.2 20.0
218 4 4 2 33.834 67.668 0.361 4.44 4 62.1 22.7
219 1 3 4 33.963 67.926 0.363 4.41 4 34.9 7.1
220 1 9 0 33.983 67.966 0.363 4.4 4 44.6 11.6
221 4 6 0 34.052 68.104 0.363 4.38 4 252.5 370.4
222 5 3 0 34.093 68.186 0.364 4.37 4 16.3 1.5
223 1 8 -2 34.102 68.204 0.364 4.37 4 90.7 47.6
224 2 0 4 34.118 68.236 0.364 4.37 2 155.7 70.2
225 3 4 3 34.132 68.263 0.364 4.36 4 70.9 29.1
226 5 2 1 34.144 68.289 0.364 4.36 4 41.0 9.7
227 1 8 2 34.243 68.485 0.365 4.33 4 136.1 106.3
228 0 9 1 34.312 68.625 0.366 4.32 4 316.1 571.3
229 2 1 4 34.347 68.694 0.366 4.31 4 120.3 82.6
230 2 2 -4 34.471 68.941 0.367 4.28 4 137.0 106.2
231 4 0 -3 34.569 69.138 0.368 4.25 2 154.1 66.8
232 2 6 -3 34.725 69.449 0.37 4.21 4 210.0 246.1
233 0 4 4 34.733 69.465 0.37 4.21 4 141.7 111.9
234 4 1 -3 34.797 69.594 0.37 4.19 4 70.7 27.8
235 4 6 -1 34.929 69.857 0.372 4.16 4 123.5 84.1
236 5 3 -1 34.934 69.869 0.372 4.16 4 23.6 3.1
237 1 9 -1 34.965 69.931 0.372 4.15 4 46.4 11.8
238 2 2 4 35.03 70.06 0.373 4.14 4 30.1 5.0
239 1 9 1 35.035 70.07 0.373 4.14 4 22.8 2.9
240 0 7 3 35.143 70.285 0.374 4.11 4 182.1 180.5
241 2 6 3 35.143 70.286 0.374 4.11 4 262.4 374.9
242 4 6 1 35.207 70.414 0.374 4.1 4 145.3 114.6
243 1 4 -4 35.278 70.556 0.375 4.08 4 81.8 36.1
244 5 3 1 35.282 70.565 0.375 4.08 4 5.3 0.2
245 4 5 -2 35.326 70.651 0.375 4.07 4 151.9 124.3
246 4 0 3 35.405 70.811 0.376 4.05 2 188.2 95.0
247 4 2 -3 35.476 70.952 0.377 4.03 4 138.2 102.1
248 3 5 -3 35.548 71.096 0.377 4.02 4 38.6 7.9
249 1 4 4 35.555 71.11 0.377 4.02 4 90.8 43.8
250 2 3 -4 35.604 71.207 0.378 4.01 4 163.5 141.7
251 3 8 0 35.611 71.222 0.378 4.0 4 20.8 2.3
252 4 1 3 35.631 71.261 0.378 4.0 4 30.8 5.0
253 5 4 0 35.683 71.365 0.379 3.99 4 113.4 67.9
254 1 7 -3 35.72 71.439 0.379 3.98 4 123.4 80.2
255 4 5 2 35.879 71.758 0.38 3.95 4 50.9 13.5
256 1 7 3 35.927 71.853 0.381 3.93 4 51.8 14.0
257 5 1 -2 35.972 71.943 0.381 3.93 4 29.2 4.4
258 2 9 0 36.037 72.075 0.382 3.91 4 234.1 283.9
259 3 7 -2 36.038 72.076 0.382 3.91 4 93.6 45.4
260 2 8 -2 36.084 72.169 0.382 3.9 4 53.5 14.8
261 2 3 4 36.155 72.31 0.383 3.89 4 189.6 185.0
262 3 5 3 36.169 72.338 0.383 3.88 4 59.6 18.3
263 4 2 3 36.303 72.606 0.384 3.86 4 23.3 2.8
264 2 8 2 36.359 72.718 0.385 3.84 4 32.5 5.4
265 3 7 2 36.45 72.899 0.386 3.83 4 62.3 19.6
266 3 8 -1 36.505 73.01 0.386 3.82 4 135.2 92.4
267 5 4 -1 36.508 73.016 0.386 3.81 4 88.7 39.8
268 4 3 -3 36.596 73.191 0.387 3.8 4 138.5 96.5
269 5 2 -2 36.641 73.283 0.387 3.79 4 111.5 62.4
270 5 1 2 36.658 73.315 0.388 3.79 4 128.2 82.4
271 3 8 1 36.71 73.421 0.388 3.78 4 192.0 184.3
272 0 5 4 36.755 73.51 0.388 3.77 4 77.6 30.1
273 5 4 1 36.849 73.699 0.389 3.75 4 49.8 12.3
274 2 9 -1 36.962 73.923 0.39 3.73 4 81.0 32.4
275 4 7 0 36.982 73.963 0.39 3.72 4 135.2 90.1
276 3 1 -4 37.051 74.103 0.391 3.71 4 125.8 77.7
277 2 9 1 37.098 74.196 0.392 3.7 4 91.0 40.6
278 2 4 -4 37.165 74.331 0.392 3.69 4 137.4 92.2
279 1 5 -4 37.288 74.576 0.393 3.67 4 115.4 64.7
280 0 9 2 37.315 74.63 0.393 3.66 4 19.2 1.8
281 5 2 2 37.323 74.645 0.394 3.66 4 122.9 73.3
282 4 3 3 37.413 74.826 0.394 3.64 4 258.4 322.4
283 1 5 4 37.559 75.119 0.396 3.62 4 39.6 7.5
284 0 10 0 37.574 75.149 0.396 3.62 2 124.2 36.9
285 2 7 -3 37.632 75.264 0.396 3.61 4 153.7 112.8
286 5 5 0 37.684 75.368 0.397 3.6 4 40.7 7.9
287 2 4 4 37.708 75.416 0.397 3.59 4 38.1 6.9
288 3 2 -4 37.714 75.428 0.397 3.59 4 34.5 5.7
289 5 3 -2 37.748 75.495 0.397 3.59 4 11.7 0.7
290 4 6 -2 37.776 75.551 0.398 3.58 4 175.5 146.0
291 4 7 -1 37.83 75.66 0.398 3.57 4 78.1 28.8
292 3 1 4 37.865 75.73 0.398 3.57 4 133.1 83.6
293 1 9 -2 37.913 75.825 0.399 3.56 4 16.0 1.2
294 3 6 -3 37.993 75.985 0.4 3.55 4 60.4 17.1
295 2 7 3 38.038 76.075 0.4 3.54 4 8.7 0.4
296 1 9 2 38.048 76.095 0.4 3.54 4 31.1 4.5
297 4 7 1 38.1 76.2 0.401 3.53 4 39.4 7.3
298 4 4 -3 38.142 76.283 0.401 3.52 4 192.9 173.6
299 1 10 0 38.238 76.476 0.402 3.51 4 70.1 22.8
300 4 6 2 38.315 76.63 0.402 3.49 4 220.0 223.9
301 5 3 2 38.422 76.844 0.403 3.48 4 39.9 7.3
302 0 8 3 38.475 76.951 0.404 3.47 4 86.1 34.0
303 5 5 -1 38.493 76.987 0.404 3.47 4 105.0 50.6
304 3 2 4 38.523 77.045 0.404 3.46 4 24.2 2.7
305 0 10 1 38.552 77.104 0.405 3.46 4 33.9 5.3
306 3 6 3 38.598 77.197 0.405 3.45 4 6.5 0.2
307 3 3 -4 38.809 77.619 0.407 3.42 4 18.9 1.6
308 5 5 1 38.829 77.658 0.407 3.41 4 140.4 89.1
309 4 4 3 38.948 77.895 0.408 3.4 4 52.1 12.2
310 1 8 -3 39.034 78.068 0.409 3.38 4 121.8 66.5
311 2 5 -4 39.139 78.279 0.41 3.37 4 119.0 63.2
312 0 6 4 39.172 78.344 0.41 3.36 4 200.3 178.8
313 1 10 -1 39.177 78.354 0.41 3.36 4 28.6 3.7
314 1 8 3 39.234 78.469 0.411 3.36 4 14.1 0.9
315 1 10 1 39.244 78.488 0.411 3.35 4 18.9 1.6
316 5 4 -2 39.278 78.556 0.411 3.35 4 104.7 48.6
317 3 8 -2 39.342 78.685 0.412 3.34 4 23.9 2.5
318 3 9 0 39.364 78.727 0.412 3.34 4 22.9 2.3
319 6 0 0 39.48 78.961 0.413 3.32 2 237.1 123.7
320 3 3 4 39.611 79.223 0.414 3.3 4 17.7 1.4
321 2 5 4 39.673 79.346 0.414 3.3 4 90.9 36.1
322 1 6 -4 39.694 79.388 0.415 3.29 4 47.7 9.9
323 6 1 0 39.697 79.395 0.415 3.29 4 31.4 4.3
324 3 8 2 39.742 79.485 0.415 3.29 4 14.0 0.9
325 2 9 -2 39.821 79.642 0.416 3.28 4 217.5 205.4
326 5 4 2 39.945 79.889 0.417 3.26 4 73.1 23.1
327 1 6 4 39.96 79.921 0.417 3.26 4 42.0 7.6
328 0 0 5 40.062 80.124 0.418 3.25 2 23.5 1.2
329 5 6 0 40.083 80.166 0.418 3.24 4 21.1 1.9
330 2 9 2 40.087 80.174 0.418 3.24 4 239.2 245.8
331 4 5 -3 40.101 80.201 0.418 3.24 4 5.5 0.1
332 2 10 0 40.208 80.417 0.419 3.23 4 67.5 19.5
333 3 9 -1 40.229 80.458 0.419 3.23 4 81.5 28.4
334 6 0 -1 40.246 80.491 0.419 3.22 2 89.6 17.1
335 4 8 0 40.26 80.52 0.419 3.22 4 26.1 2.9
336 0 1 5 40.278 80.556 0.42 3.22 4 116.7 58.1
337 3 4 -4 40.328 80.656 0.42 3.21 4 17.2 1.3
338 6 2 0 40.346 80.693 0.42 3.21 4 124.7 66.1
339 3 9 1 40.428 80.856 0.421 3.2 4 12.4 0.6
340 6 1 -1 40.462 80.923 0.421 3.2 4 139.7 82.6
341 4 7 -2 40.604 81.209 0.422 3.18 4 178.1 133.7
342 6 0 1 40.644 81.287 0.423 3.18 2 134.6 38.1
343 5 1 -3 40.687 81.375 0.423 3.17 4 41.4 7.2
344 1 1 -5 40.764 81.528 0.424 3.16 4 69.9 20.5
345 3 7 -3 40.817 81.634 0.424 3.16 4 29.9 3.7
346 6 1 1 40.859 81.718 0.425 3.15 4 122.0 62.2
347 5 6 -1 40.878 81.757 0.425 3.15 4 97.3 39.5
348 2 8 -3 40.895 81.79 0.425 3.15 4 15.4 1.0
349 4 5 3 40.896 81.792 0.425 3.15 4 7.4 0.2
350 0 2 5 40.925 81.85 0.425 3.15 4 126.4 66.6
351 4 8 -1 41.088 82.176 0.427 3.13 4 85.9 30.5
352 1 1 5 41.095 82.189 0.427 3.13 4 106.2 46.7
353 2 10 -1 41.103 82.205 0.427 3.13 4 125.6 65.3
354 6 2 -1 41.108 82.215 0.427 3.13 4 3.6 0.1
355 3 4 4 41.123 82.245 0.427 3.12 4 34.0 4.8
356 4 7 2 41.134 82.267 0.427 3.12 4 24.2 2.4
357 5 6 1 41.209 82.418 0.428 3.12 4 20.0 1.6
358 5 5 -2 41.223 82.445 0.428 3.11 4 25.8 2.8
359 2 10 1 41.235 82.47 0.428 3.11 4 123.0 62.3
360 2 8 3 41.291 82.583 0.428 3.11 4 9.5 0.4
361 4 0 -4 41.303 82.605 0.428 3.11 2 83.3 14.3
362 5 2 -3 41.333 82.665 0.429 3.1 4 28.9 3.4
363 4 8 1 41.352 82.704 0.429 3.1 4 4.9 0.1
364 1 2 -5 41.409 82.818 0.429 3.1 4 80.1 26.3
365 3 7 3 41.412 82.824 0.429 3.1 4 23.8 2.3
366 6 3 0 41.423 82.845 0.429 3.09 4 157.7 101.9
367 0 10 2 41.446 82.891 0.43 3.09 4 109.8 49.4
368 6 2 1 41.504 83.008 0.43 3.09 4 30.5 3.8
369 2 6 -4 41.515 83.03 0.43 3.08 4 57.4 13.5
370 4 1 -4 41.517 83.035 0.43 3.08 4 153.9 96.8
371 5 1 3 41.678 83.356 0.432 3.07 4 58.4 13.9
372 1 2 5 41.739 83.478 0.432 3.06 4 11.7 0.6
373 5 5 2 41.882 83.764 0.433 3.05 4 65.5 17.3
374 0 7 4 41.976 83.952 0.434 3.04 4 92.7 34.6
375 0 3 5 41.998 83.997 0.434 3.04 4 159.5 102.3
376 1 10 -2 42.027 84.055 0.435 3.04 4 53.4 11.5
377 2 6 4 42.042 84.084 0.435 3.03 4 101.5 41.4
378 0 9 3 42.149 84.298 0.436 3.02 4 190.7 145.7
379 1 10 2 42.159 84.318 0.436 3.02 4 7.5 0.2
380 4 2 -4 42.16 84.321 0.436 3.02 4 114.7 52.7
381 6 3 -1 42.18 84.361 0.436 3.02 4 109.3 47.8
382 3 5 -4 42.262 84.524 0.437 3.01 4 103.8 43.0
383 5 2 3 42.321 84.642 0.437 3.01 4 66.4 17.6
384 2 0 -5 42.329 84.658 0.437 3.01 2 102.3 20.9
385 4 0 4 42.357 84.713 0.437 3.01 2 120.0 28.7
386 5 3 -3 42.404 84.809 0.438 3.0 4 29.4 3.4
387 4 6 -3 42.465 84.929 0.438 3.0 4 116.9 54.3
388 1 3 -5 42.48 84.961 0.438 3.0 4 12.8 0.6
389 1 7 -4 42.491 84.982 0.438 3.0 4 34.3 4.7
390 2 1 -5 42.543 85.086 0.439 2.99 4 161.3 103.1
391 4 1 4 42.57 85.141 0.439 2.99 4 15.8 1.0
392 6 3 1 42.575 85.15 0.439 2.99 4 132.5 69.5
393 1 9 -3 42.696 85.393 0.44 2.98 4 58.0 13.3
394 1 7 4 42.754 85.507 0.441 2.97 4 15.2 0.9
395 1 11 0 42.772 85.545 0.441 2.97 4 71.8 20.3
396 1 3 5 42.809 85.618 0.441 2.97 4 45.7 8.2
397 5 7 0 42.875 85.749 0.442 2.96 4 87.3 29.9
398 1 9 3 42.893 85.787 0.442 2.96 4 0.1 0.0
399 6 0 -2 42.917 85.835 0.442 2.96 2 144.4 40.9
400 6 4 0 42.922 85.843 0.442 2.96 4 152.7 91.4
401 2 0 5 42.986 85.972 0.443 2.96 2 181.2 64.3
402 3 9 -2 42.999 85.999 0.443 2.95 4 6.7 0.2
403 3 5 4 43.05 86.101 0.443 2.95 4 173.3 117.4
404 0 11 1 43.079 86.158 0.443 2.95 4 26.6 2.8
405 6 1 -2 43.131 86.262 0.444 2.94 4 19.5 1.5
406 2 2 -5 43.184 86.368 0.444 2.94 4 73.3 20.9
407 2 1 5 43.199 86.399 0.444 2.94 4 100.7 39.4
408 4 2 4 43.211 86.423 0.444 2.94 4 58.4 13.3
409 4 3 -4 43.229 86.458 0.445 2.94 4 96.0 35.9
410 4 6 3 43.252 86.505 0.445 2.94 4 148.2 85.3
411 5 3 3 43.389 86.778 0.446 2.93 4 8.3 0.3
412 3 9 2 43.393 86.786 0.446 2.92 4 16.5 1.1
413 3 10 0 43.447 86.894 0.446 2.92 4 31.7 3.9
414 0 4 5 43.495 86.989 0.447 2.92 4 123.8 59.2
415 5 6 -2 43.577 87.153 0.447 2.91 4 11.3 0.5
416 5 7 -1 43.662 87.324 0.448 2.91 4 25.5 2.5
417 6 4 -1 43.676 87.352 0.448 2.91 4 30.5 3.6
418 1 11 -1 43.691 87.382 0.448 2.9 4 95.0 34.8
419 6 0 2 43.704 87.409 0.448 2.9 2 206.3 81.9
420 1 11 1 43.756 87.513 0.449 2.9 4 171.8 113.4
421 6 2 -2 43.771 87.542 0.449 2.9 4 183.3 129.0
422 4 8 -2 43.817 87.634 0.449 2.9 4 49.5 9.4
423 2 2 5 43.839 87.679 0.45 2.89 4 94.5 34.2
424 2 10 -2 43.897 87.794 0.45 2.89 4 103.9 41.3
425 5 4 -3 43.899 87.798 0.45 2.89 4 59.9 13.7
426 4 9 0 43.903 87.807 0.45 2.89 4 103.3 40.9
427 6 1 2 43.918 87.835 0.45 2.89 4 10.8 0.4
428 1 4 -5 43.975 87.95 0.451 2.89 4 57.2 12.5
429 5 7 1 43.989 87.979 0.451 2.89 4 1.2 0.0
430 3 8 -3 44.028 88.055 0.451 2.88 4 47.1 8.5
431 6 4 1 44.069 88.138 0.451 2.88 4 38.5 5.6
432 2 10 2 44.159 88.318 0.452 2.87 4 6.6 0.2
433 5 6 2 44.232 88.463 0.453 2.87 4 16.9 1.1
434 2 3 -5 44.25 88.5 0.453 2.87 4 91.1 31.5
435 4 3 4 44.278 88.555 0.453 2.87 4 168.4 107.6
436 2 7 -4 44.293 88.587 0.453 2.87 4 102.4 39.8
437 3 10 -1 44.299 88.598 0.453 2.87 4 29.5 3.3
438 1 4 5 44.302 88.605 0.453 2.87 4 51.0 9.9
439 4 8 2 44.341 88.682 0.454 2.86 4 21.8 1.8
440 3 10 1 44.495 88.991 0.455 2.86 4 1.2 0.0
441 2 9 -3 44.531 89.062 0.455 2.85 4 47.4 8.5
442 6 2 2 44.557 89.114 0.455 2.85 4 55.5 11.6
443 3 6 -4 44.61 89.219 0.456 2.85 4 52.7 10.5
444 3 8 3 44.617 89.234 0.456 2.85 4 144.0 78.2
445 2 11 0 44.705 89.41 0.457 2.84 4 10.4 0.4
446 4 4 -4 44.722 89.443 0.457 2.84 4 93.9 33.2
447 4 9 -1 44.722 89.444 0.457 2.84 4 169.3 107.9
448 2 7 4 44.817 89.634 0.458 2.84 4 106.9 43.0
449 6 3 -2 44.837 89.673 0.458 2.84 4 68.6 17.7
450 6 5 0 44.841 89.682 0.458 2.84 4 44.6 7.5
451 5 4 3 44.881 89.763 0.458 2.83 4 29.6 3.3
452 2 3 5 44.905 89.81 0.458 2.83 4 60.4 13.7
453 2 9 3 44.924 89.847 0.458 2.83 4 82.5 25.5
454 4 9 1 44.984 89.968 0.459 2.83 4 199.8 149.7
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 1 1 0 7.023 14.045 6.30026 848.9 8.9 9.0 5.6
2 0 0 1 7.396 14.792 5.98399 104.9 1.1 1.1 5.6
3 0 1 1 8.189 16.378 5.40788 391.7 4.1 4.1 5.6
4 1 2 0 9.298 18.595 4.76762 1367.1 14.3 14.4 5.6
5 1 1 -1 10.132 20.264 4.37869 1070.4 11.2 11.3 5.6
6 0 2 1 10.214 20.428 4.34394 182.6 1.9 1.9 5.6
7 1 1 1 10.319 20.639 4.30002 310.1 3.2 3.3 5.6
8 1 2 -1 11.84 23.681 3.75404 453.1 4.7 4.8 5.6
9 1 2 1 12.002 24.005 3.70411 691.0 7.2 7.3 5.6
10 2 0 0 12.236 24.472 3.63445 884.3 9.2 9.3 5.6
11 0 3 1 12.926 25.851 3.44357 8898.9 92.9 93.5 5.6
12 0 4 0 14.118 28.236 3.15797 172.2 1.8 1.8 5.6
13 2 2 0 14.154 28.307 3.15013 368.5 3.8 3.9 5.6
14 2 0 -1 14.22 28.441 3.13565 2601.8 27.2 27.3 5.6
15 2 0 1 14.493 28.986 3.07791 2961.9 30.9 31.0 5.6
16 2 1 -1 14.661 29.323 3.04329 420.8 4.4 4.4 5.6
17 0 0 2 14.919 29.837 2.99199 4424.7 46.2 46.3 5.6
18 0 1 2 15.341 30.683 2.91144 1380.9 14.4 14.4 5.6
19 1 4 0 15.423 30.846 2.89644 730.7 7.6 7.6 5.6
20 2 3 0 16.258 32.517 2.75129 9574.5 100.0 100.0 5.6
21 1 1 -2 16.439 32.878 2.72192 640.5 6.7 6.7 5.6
22 0 2 2 16.551 33.103 2.70394 227.3 2.4 2.4 5.6
23 1 2 -2 17.581 35.163 2.5501 392.5 4.1 4.1 5.7
24 1 2 2 17.807 35.615 2.51875 1249.6 13.1 13.0 5.7
25 2 3 1 18.059 36.118 2.48482 282.1 2.9 2.9 5.7
26 0 3 2 18.411 36.821 2.43895 138.5 1.4 1.4 5.7
27 2 4 0 18.852 37.705 2.38381 336.0 3.5 3.5 5.7
28 3 1 0 18.887 37.774 2.37959 460.2 4.8 4.8 5.7
29 2 0 2 19.686 39.373 2.28657 404.2 4.2 4.2 5.7
30 2 1 2 20.02 40.04 2.25001 121.8 1.3 1.3 5.7
31 2 4 -1 20.254 40.508 2.22509 249.7 2.6 2.6 5.7
32 1 5 -1 20.285 40.569 2.22186 462.9 4.8 4.8 5.7
33 1 5 1 20.385 40.77 2.21137 797.3 8.3 8.3 5.7
34 2 2 -2 20.599 41.199 2.18934 825.9 8.6 8.6 5.7
35 0 4 2 20.772 41.544 2.17197 155.2 1.6 1.6 5.7
36 3 2 -1 21.202 42.404 2.12987 346.8 3.6 3.6 5.7
37 0 6 0 21.461 42.923 2.10532 1672.5 17.5 17.3 5.7
38 3 2 1 21.492 42.983 2.1025 435.9 4.6 4.5 5.7
39 1 4 -2 21.629 43.258 2.08979 149.0 1.6 1.5 5.7
40 1 4 2 21.819 43.639 2.07243 279.1 2.9 2.9 5.7
41 2 3 -2 22.168 44.337 2.0414 1950.0 20.4 20.1 5.7
42 2 3 2 22.541 45.081 2.0094 2250.8 23.5 23.2 5.7
43 0 1 3 23.014 46.028 1.97025 158.3 1.7 1.6 5.7
44 2 5 -1 23.051 46.101 1.96729 169.1 1.8 1.7 5.7
45 0 2 3 23.889 47.779 1.90206 215.7 2.3 2.2 5.7
46 3 1 -2 24.169 48.338 1.88134 274.1 2.9 2.8 5.7
47 2 4 -2 24.228 48.457 1.87702 692.5 7.2 7.1 5.7
48 1 5 -2 24.299 48.597 1.87191 213.4 2.2 2.2 5.7
49 3 1 2 24.691 49.382 1.84401 356.2 3.7 3.7 5.7
50 2 6 0 25.013 50.026 1.82174 182.7 1.9 1.9 5.7
51 4 0 0 25.08 50.159 1.81723 873.0 9.1 9.0 5.7
52 0 3 3 25.297 50.594 1.80263 1366.9 14.3 14.0 5.8
53 4 1 0 25.356 50.712 1.79871 276.6 2.9 2.8 5.8
54 2 0 -3 25.887 51.774 1.76428 442.2 4.6 4.5 5.8
55 2 1 -3 26.157 52.314 1.74732 1511.7 15.8 15.5 5.8
56 2 6 1 26.313 52.626 1.7377 1205.8 12.6 12.3 5.8
57 2 0 3 26.384 52.767 1.73338 743.6 7.8 7.6 5.8
58 0 7 1 26.477 52.954 1.72771 285.6 3.0 2.9 5.8
59 0 6 2 26.575 53.151 1.72178 1263.0 13.2 12.9 5.8
60 4 2 -1 27.192 54.385 1.68559 297.4 3.1 3.0 5.8
61 4 3 0 27.495 54.99 1.66847 513.9 5.4 5.2 5.8
62 4 3 -1 28.482 56.965 1.61522 475.1 5.0 4.8 5.8
63 2 3 3 28.722 57.444 1.60287 125.7 1.3 1.3 5.8
64 4 3 1 28.794 57.587 1.59923 554.5 5.8 5.6 5.8
65 4 0 -2 29.426 58.853 1.56783 192.5 2.0 2.0 5.8
66 2 7 -1 29.504 59.009 1.56405 125.3 1.3 1.3 5.8
67 4 1 -2 29.675 59.349 1.55589 536.6 5.6 5.4 5.8
68 2 6 2 29.824 59.648 1.5488 152.0 1.6 1.5 5.8
69 0 7 2 29.899 59.799 1.54526 111.5 1.2 1.1 5.8
70 4 0 2 30.034 60.069 1.53896 498.8 5.2 5.0 5.8
71 4 4 -1 30.228 60.456 1.53004 184.5 1.9 1.9 5.8
72 1 5 3 30.332 60.664 1.52529 128.3 1.3 1.3 5.8
73 2 4 3 30.459 60.918 1.51953 216.2 2.3 2.2 5.8
74 4 4 1 30.528 61.056 1.51642 142.3 1.5 1.4 5.8
75 3 5 2 30.901 61.801 1.49991 220.0 2.3 2.2 5.8
76 1 8 -1 30.996 61.993 1.49574 336.8 3.5 3.4 5.8
77 4 3 -2 31.618 63.237 1.46928 112.0 1.2 1.1 5.9
78 0 2 4 31.947 63.895 1.45572 155.8 1.6 1.6 5.9
79 3 7 0 32.156 64.312 1.44727 128.6 1.3 1.3 5.9
80 4 3 2 32.202 64.404 1.44544 408.4 4.3 4.1 5.9
81 1 2 4 32.804 65.607 1.42181 179.9 1.9 1.8 5.9
82 2 1 -4 33.782 67.565 1.38529 161.0 1.7 1.6 5.9
83 4 6 0 34.052 68.104 1.37564 370.4 3.9 3.7 5.9
84 2 0 4 34.118 68.236 1.3733 158.1 1.7 1.6 5.9
85 1 8 2 34.243 68.485 1.3689 106.3 1.1 1.1 5.9
86 0 9 1 34.312 68.625 1.36646 571.3 6.0 5.7 5.9
87 2 2 -4 34.471 68.941 1.36096 106.2 1.1 1.1 5.9
88 2 6 -3 34.725 69.449 1.35224 358.0 3.7 3.6 5.9
89 2 6 3 35.143 70.286 1.33818 555.5 5.8 5.5 5.9
90 4 6 1 35.207 70.414 1.33606 114.6 1.2 1.1 5.9
91 4 5 -2 35.326 70.651 1.33215 124.3 1.3 1.2 5.9
92 4 2 -3 35.476 70.952 1.32725 102.1 1.1 1.0 5.9
93 2 3 -4 35.604 71.207 1.3231 149.1 1.6 1.5 5.9
94 2 9 0 36.037 72.075 1.30931 329.3 3.4 3.3 5.9
95 2 3 4 36.155 72.31 1.30561 203.3 2.1 2.0 5.9
96 3 8 -1 36.505 73.01 1.29482 132.2 1.4 1.3 6.0
97 4 3 -3 36.596 73.191 1.29207 96.5 1.0 1.0 6.0
98 5 1 2 36.658 73.315 1.29018 144.8 1.5 1.4 6.0
99 3 8 1 36.71 73.421 1.28859 184.3 1.9 1.8 6.0
100 4 7 0 36.982 73.963 1.28047 122.5 1.3 1.2 6.0
101 4 3 3 37.413 74.826 1.26784 322.4 3.4 3.2 6.0
102 2 7 -3 37.632 75.264 1.26153 112.8 1.2 1.1 6.0
103 4 6 -2 37.776 75.551 1.25745 146.0 1.5 1.4 6.0
104 4 4 -3 38.142 76.283 1.2472 173.6 1.8 1.7 6.0
105 4 6 2 38.315 76.63 1.24241 223.9 2.3 2.2 6.0
106 0 6 4 39.172 78.344 1.21948 182.4 1.9 1.8 6.0
107 6 0 0 39.48 78.961 1.21148 123.7 1.3 1.2 6.0
108 2 9 -2 39.821 79.642 1.20282 205.4 2.1 2.0 6.0
109 2 9 2 40.087 80.174 1.19617 248.9 2.6 2.4 6.0
110 4 7 -2 40.604 81.209 1.18353 133.7 1.4 1.3 6.1
111 6 1 1 40.859 81.718 1.17744 101.7 1.1 1.0 6.1
112 2 10 -1 41.103 82.205 1.17169 149.8 1.6 1.5 6.1
113 6 3 0 41.423 82.845 1.16425 179.9 1.9 1.7 6.1
114 4 1 -4 41.517 83.035 1.16208 114.0 1.2 1.1 6.1
115 0 3 5 41.998 83.997 1.1512 137.0 1.4 1.3 6.1
116 0 9 3 42.149 84.298 1.14786 198.7 2.1 1.9 6.1
117 2 1 -5 42.543 85.086 1.13923 104.1 1.1 1.0 6.1
118 6 4 0 42.922 85.843 1.13111 132.3 1.4 1.3 6.1
119 3 5 4 43.05 86.101 1.12838 120.1 1.3 1.2 6.1
120 4 6 3 43.252 86.505 1.12414 121.2 1.3 1.2 6.1
121 6 0 2 43.704 87.409 1.11483 122.7 1.3 1.2 6.2
122 6 2 -2 43.771 87.542 1.11348 242.4 2.5 2.3 6.2
123 2 10 -2 43.897 87.794 1.11093 96.3 1.0 0.9 6.2
124 4 3 4 44.278 88.555 1.10334 193.2 2.0 1.8 6.2
125 4 9 -1 44.722 89.444 1.09466 141.1 1.5 1.3 6.2
126 4 9 1 44.984 89.968 1.08965 149.7 1.6 1.4 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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