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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REALGAR
5, t-realgar, at 5.40 Gpa, f-realgar
AsS
Monoclinic P 2(1)/n Z = 4
P2(1)/n
21 .2 .13
Ref.Str.:
Hejny C., Sagl R., Tobbens D M, Miletich R., Wildner M., Nasdala L.,
Ullrich A., Balic-Zunic T. (2012)
* Phys. Chem. Minerals, 39, 399-412
R: from Baia Sprie mine, Romania.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.719 alpha = 90.0
b = 12.634 beta = 107.1
c = 6.149 gamma = 90.0
Unit cell volume (cub. angs.) = 647.4
Molar volume ( cub.cm/mol.) = 97.49
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1046 0.9693 0.7552 0.0 As = 1.00
2 0.4356 0.1353 0.854 0.0 As = 1.00
3 0.3295 0.1281 0.1934 0.0 As = 1.00
4 0.0271 0.1649 0.6976 0.0 As = 1.00
5 0.3429 0.9801 0.6813 0.0 S = 1.00
6 0.2107 0.9682 0.1326 0.0 S = 1.00
7 0.2417 0.2315 0.6195 0.0 S = 1.00
8 0.1043 0.2224 0.0585 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1046 0.9693 0.7552
2 2 0.4356 0.1353 0.854
3 3 0.3295 0.1281 0.1934
4 4 0.0271 0.1649 0.6976
5 5 0.3429 0.9801 0.6813
6 6 0.2107 0.9682 0.1326
7 7 0.2417 0.2315 0.6195
8 8 0.1043 0.2224 0.0585
9 1 0.8954 0.0307 0.2448
10 2 0.5644 0.8647 0.146
11 3 0.6705 0.8719 0.8066
12 4 0.9729 0.8351 0.3024
13 5 0.6571 0.0199 0.3187
14 6 0.7893 0.0318 0.8674
15 7 0.7583 0.7685 0.3805
16 8 0.8957 0.7776 0.9415
17 1 0.6046 0.5307 0.2552
18 2 0.9356 0.3647 0.354
19 3 0.8295 0.3719 0.6934
20 4 0.5271 0.3351 0.1976
21 5 0.8429 0.5199 0.1813
22 6 0.7107 0.5318 0.6326
23 7 0.7417 0.2685 0.1195
24 8 0.6043 0.2776 0.5585
25 1 0.3954 0.4693 0.7448
26 2 0.0644 0.6353 0.646
27 3 0.1705 0.6281 0.3066
28 4 0.4729 0.6649 0.8024
29 5 0.1571 0.4801 0.8187
30 6 0.2893 0.4682 0.3674
31 7 0.2583 0.7315 0.8805
32 8 0.3957 0.7224 0.4415
X-ray density (g/cm cub.) = 4.39
MU (1/cm) = 373.537 Mass attenuation coefficient (cm**2/g) = 85.108
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 As 3.012 2
2.2577 5
2.2313 6
2 As 3.012 2
2.2629 5
2.2318 7
3 As 3.012 2
2.2508 6
2.2372 8
4 As 3.012 2
2.2289 7
2.2421 8
5 S 4.368 8
3.3065 6
3.2323 6
3.2885 7
4.0994 5
4.0399 5
3.777 6
3.5271 7
3.6586 8
6 S 4.368 8
3.2323 5
3.3065 5
3.3367 8
3.777 5
3.6443 6
3.5812 8
3.4491 7
3.7485 8
7 S 4.368 6
3.2885 5
3.2614 8
3.3042 8
3.3425 8
3.5271 5
3.4491 6
8 S 4.368 7
3.3367 6
3.3042 7
3.2614 7
3.5812 6
3.3425 7
3.6586 5
3.7485 6
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 1 1 0 6.357 12.715 0.072 160.16 4 31.6 152.7
2 0 2 0 7.004 14.008 0.079 131.55 2 32.3 65.6
3 1 0 -1 7.838 15.676 0.089 104.6 2 118.0 695.0
4 0 1 1 8.311 16.622 0.094 92.78 4 79.5 559.8
5 1 1 -1 8.591 17.182 0.097 86.69 4 68.6 389.7
6 1 2 0 8.801 17.603 0.099 82.49 4 131.6 1363.8
7 0 2 1 10.312 20.625 0.116 59.5 4 40.6 93.7
8 1 0 1 10.442 20.883 0.118 57.98 2 2.2 0.1
9 1 2 -1 10.541 21.082 0.119 56.86 4 20.2 22.2
10 2 0 0 10.653 21.306 0.12 55.62 2 42.4 47.7
11 1 1 1 11.024 22.047 0.124 51.8 4 14.5 10.4
12 2 1 0 11.225 22.449 0.126 49.89 4 59.9 171.1
13 2 1 -1 11.656 23.313 0.131 46.11 4 93.4 384.0
14 1 3 0 11.826 23.651 0.133 44.74 4 50.8 110.0
15 1 2 1 12.617 25.234 0.142 39.05 4 46.3 79.8
16 2 2 0 12.795 25.589 0.144 37.92 4 56.0 113.5
17 0 3 1 13.004 26.008 0.146 36.64 4 48.1 80.8
18 2 2 -1 13.178 26.356 0.148 35.63 4 84.1 240.4
19 1 3 -1 13.188 26.376 0.148 35.57 4 3.1 0.3
20 0 4 0 14.115 28.231 0.158 30.8 2 28.3 11.8
21 1 3 1 14.921 29.842 0.167 27.35 4 61.5 98.6
22 1 1 -2 14.97 29.939 0.168 27.16 4 44.7 51.8
23 2 3 0 15.073 30.147 0.169 26.76 4 199.6 1017.7
24 1 4 0 15.118 30.236 0.169 26.6 4 173.4 763.1
25 0 0 2 15.196 30.393 0.17 26.3 2 293.7 1082.5
26 2 1 1 15.265 30.53 0.171 26.05 4 60.4 90.6
27 2 3 -1 15.404 30.808 0.172 25.55 4 18.8 8.6
28 0 1 2 15.612 31.224 0.175 24.82 4 96.0 218.2
29 3 0 -1 15.642 31.284 0.175 24.72 2 286.7 969.4
30 2 0 -2 15.827 31.655 0.177 24.1 2 2.3 0.1
31 3 1 -1 16.047 32.095 0.179 23.39 4 89.6 179.4
32 0 4 1 16.073 32.146 0.18 23.31 4 168.3 629.9
33 1 2 -2 16.204 32.408 0.181 22.9 4 177.4 688.0
34 1 4 -1 16.225 32.45 0.181 22.84 4 14.5 4.6
35 2 1 -2 16.229 32.457 0.181 22.83 4 144.5 455.0
36 2 2 1 16.479 32.959 0.184 22.08 4 246.0 1275.5
37 3 1 0 16.494 32.988 0.184 22.04 4 65.0 88.8
38 0 2 2 16.804 33.608 0.188 21.17 4 119.4 288.2
39 3 2 -1 17.212 34.425 0.192 20.09 4 143.8 396.5
40 2 2 -2 17.383 34.766 0.194 19.66 4 44.1 36.4
41 3 2 0 17.633 35.266 0.197 19.06 4 110.5 222.2
42 1 4 1 17.689 35.377 0.197 18.93 4 246.2 1095.1
43 2 4 0 17.82 35.639 0.199 18.62 4 121.6 262.7
44 1 1 2 17.973 35.947 0.2 18.28 4 153.8 412.8
45 1 3 -2 18.094 36.188 0.202 18.01 4 21.2 7.7
46 2 4 -1 18.106 36.211 0.202 17.99 4 131.5 296.7
47 2 3 1 18.344 36.689 0.204 17.48 4 24.9 10.3
48 1 5 0 18.575 37.15 0.207 17.0 4 175.2 498.0
49 0 3 2 18.641 37.281 0.207 16.87 4 111.1 198.5
50 3 3 -1 19.015 38.029 0.211 16.15 4 103.4 164.8
51 1 2 2 19.035 38.07 0.212 16.11 4 69.8 75.0
52 3 1 -2 19.054 38.108 0.212 16.07 4 150.1 345.8
53 2 3 -2 19.171 38.343 0.213 15.86 4 62.5 59.1
54 0 5 1 19.38 38.759 0.215 15.48 4 46.2 31.6
55 3 3 0 19.401 38.803 0.216 15.44 4 136.3 273.8
56 1 5 -1 19.509 39.018 0.217 15.25 4 169.7 419.4
57 3 0 1 19.863 39.725 0.221 14.66 2 137.4 132.1
58 3 2 -2 20.067 40.133 0.223 14.33 4 146.8 294.8
59 3 1 1 20.194 40.387 0.224 14.13 4 116.0 181.3
60 1 4 -2 20.486 40.971 0.227 13.68 4 139.8 255.1
61 1 3 2 20.701 41.402 0.229 13.37 4 45.3 26.1
62 2 4 1 20.711 41.423 0.23 13.35 4 82.8 87.3
63 1 5 1 20.772 41.544 0.23 13.27 4 35.5 15.9
64 2 5 0 20.886 41.773 0.231 13.1 4 56.1 39.4
65 0 4 2 20.979 41.958 0.232 12.98 4 68.6 58.3
66 4 1 -1 21.057 42.114 0.233 12.87 4 28.0 9.6
67 2 5 -1 21.137 42.274 0.234 12.76 4 0.9 0.0
68 3 2 1 21.161 42.321 0.234 12.73 4 108.2 142.2
69 2 0 2 21.252 42.503 0.235 12.61 2 104.0 65.1
70 3 4 -1 21.319 42.637 0.236 12.52 4 14.1 2.4
71 0 6 0 21.458 42.915 0.237 12.34 2 173.3 176.8
72 2 4 -2 21.461 42.923 0.237 12.33 4 0.0 0.0
73 2 1 2 21.565 43.13 0.239 12.2 4 30.6 10.9
74 3 3 -2 21.667 43.333 0.24 12.07 4 149.0 255.6
75 3 4 0 21.671 43.342 0.24 12.06 4 109.9 139.1
76 4 0 0 21.699 43.397 0.24 12.03 2 54.2 16.8
77 4 2 -1 21.993 43.986 0.243 11.67 4 124.7 173.3
78 4 1 0 22.007 44.014 0.243 11.65 4 48.4 26.0
79 1 0 -3 22.118 44.237 0.244 11.52 2 212.2 247.6
80 1 6 0 22.167 44.334 0.245 11.47 4 183.0 366.4
81 1 1 -3 22.422 44.844 0.248 11.17 4 122.7 160.5
82 2 2 2 22.484 44.968 0.248 11.1 4 81.5 70.4
83 4 0 -2 22.659 45.318 0.25 10.91 2 219.6 251.0
84 3 3 1 22.698 45.396 0.25 10.87 4 56.1 32.6
85 2 1 -3 22.766 45.532 0.251 10.8 4 184.5 350.9
86 1 4 2 22.865 45.73 0.252 10.69 4 19.1 3.7
87 0 6 1 22.866 45.733 0.252 10.69 4 64.8 42.8
88 4 2 0 22.912 45.824 0.253 10.64 4 120.2 146.8
89 4 1 -2 22.957 45.914 0.253 10.59 4 79.8 64.4
90 1 6 -1 22.98 45.959 0.253 10.57 4 90.0 81.7
91 1 5 -2 23.259 46.518 0.256 10.29 4 15.1 2.2
92 1 2 -3 23.314 46.629 0.257 10.23 4 6.2 0.4
93 0 1 3 23.446 46.892 0.258 10.1 4 69.1 46.1
94 2 5 1 23.463 46.926 0.258 10.08 4 5.1 0.2
95 4 3 -1 23.487 46.973 0.259 10.06 4 70.9 48.3
96 2 2 -3 23.648 47.296 0.26 9.91 4 123.2 143.6
97 0 5 2 23.706 47.412 0.261 9.85 4 12.8 1.5
98 3 4 -2 23.76 47.52 0.262 9.8 4 119.4 133.3
99 4 2 -2 23.834 47.667 0.262 9.73 4 89.9 75.1
100 2 3 2 23.954 47.908 0.264 9.62 4 65.6 39.6
101 3 5 -1 24.015 48.03 0.264 9.57 4 43.7 17.4
102 1 6 1 24.095 48.189 0.265 9.49 4 19.4 3.4
103 2 5 -2 24.145 48.29 0.266 9.45 4 1.5 0.0
104 3 0 -3 24.149 48.298 0.266 9.45 2 195.1 171.5
105 2 6 0 24.197 48.393 0.266 9.4 4 114.4 117.5
106 0 2 3 24.309 48.619 0.267 9.3 4 75.5 50.6
107 3 5 0 24.336 48.673 0.267 9.28 4 25.9 5.9
108 4 3 0 24.362 48.723 0.268 9.26 4 19.3 3.3
109 2 6 -1 24.42 48.841 0.268 9.21 4 85.2 63.7
110 3 1 -3 24.433 48.866 0.268 9.2 4 50.4 22.3
111 3 4 1 24.723 49.446 0.271 8.95 4 80.6 55.6
112 1 3 -3 24.746 49.492 0.272 8.94 4 58.8 29.5
113 2 3 -3 25.065 50.131 0.275 8.68 4 49.2 20.1
114 4 3 -2 25.243 50.486 0.277 8.54 4 23.3 4.4
115 3 2 -3 25.271 50.541 0.277 8.52 4 31.7 8.2
116 1 5 2 25.433 50.866 0.279 8.4 4 132.4 140.5
117 1 0 3 25.439 50.878 0.279 8.39 2 133.8 71.7
118 4 4 -1 25.464 50.928 0.279 8.37 4 33.9 9.2
119 4 1 1 25.555 51.11 0.28 8.3 4 9.4 0.7
120 0 3 3 25.699 51.399 0.281 8.2 4 37.3 10.9
121 1 1 3 25.713 51.425 0.282 8.19 4 66.3 34.4
122 1 7 0 25.892 51.784 0.283 8.06 4 88.3 60.0
123 2 4 2 25.904 51.809 0.284 8.05 4 26.2 5.3
124 3 1 2 25.992 51.985 0.284 7.99 4 8.0 0.5
125 5 0 -1 26.216 52.431 0.287 7.84 2 195.5 143.0
126 3 5 -2 26.262 52.524 0.287 7.8 4 37.6 10.5
127 4 4 0 26.29 52.58 0.288 7.79 4 52.4 20.4
128 1 6 -2 26.337 52.674 0.288 7.75 4 174.6 225.7
129 4 2 1 26.367 52.734 0.288 7.73 4 162.0 193.7
130 5 1 -1 26.483 52.967 0.289 7.66 4 114.3 95.5
131 0 7 1 26.516 53.033 0.29 7.63 4 40.8 12.1
132 1 2 3 26.521 53.042 0.29 7.63 4 180.0 236.1
133 2 6 1 26.523 53.047 0.29 7.63 4 214.8 335.8
134 1 7 -1 26.618 53.236 0.291 7.57 4 10.5 0.8
135 3 3 -3 26.624 53.248 0.291 7.56 4 50.3 18.3
136 1 4 -3 26.654 53.308 0.291 7.54 4 68.0 33.3
137 0 6 2 26.746 53.492 0.292 7.49 4 157.0 176.2
138 3 2 2 26.795 53.589 0.293 7.46 4 117.5 98.2
139 2 4 -3 26.957 53.914 0.294 7.35 4 31.9 7.2
140 3 6 -1 27.029 54.058 0.295 7.31 4 179.0 223.5
141 4 4 -2 27.126 54.252 0.296 7.25 4 102.3 72.5
142 2 6 -2 27.148 54.297 0.296 7.24 4 64.3 28.6
143 3 5 1 27.16 54.32 0.296 7.23 4 15.7 1.7
144 4 1 -3 27.241 54.482 0.297 7.18 4 64.7 28.7
145 5 2 -1 27.276 54.551 0.297 7.16 4 188.0 241.6
146 3 6 0 27.325 54.649 0.298 7.13 4 118.4 95.4
147 0 4 3 27.56 55.12 0.3 6.99 4 118.3 93.3
148 5 1 -2 27.609 55.218 0.301 6.96 4 7.4 0.4
149 1 7 1 27.624 55.248 0.301 6.96 4 51.9 17.9
150 4 3 1 27.682 55.365 0.302 6.92 4 220.5 321.2
151 2 7 0 27.717 55.433 0.302 6.9 4 0.3 0.0
152 5 1 0 27.785 55.571 0.303 6.86 4 45.0 13.3
153 1 3 3 27.831 55.663 0.303 6.84 4 112.3 82.3
154 4 5 -1 27.855 55.71 0.303 6.83 4 173.0 195.0
155 2 7 -1 27.92 55.84 0.304 6.79 4 50.7 16.6
156 4 2 -3 28.019 56.037 0.305 6.74 4 22.6 3.3
157 3 3 2 28.097 56.193 0.306 6.69 4 94.2 56.6
158 2 5 2 28.269 56.538 0.307 6.6 4 76.3 36.7
159 1 6 2 28.339 56.677 0.308 6.56 4 123.8 96.0
160 5 2 -2 28.38 56.76 0.309 6.54 4 36.0 8.1
161 3 4 -3 28.443 56.886 0.309 6.51 4 162.7 164.5
162 5 2 0 28.553 57.106 0.31 6.45 4 79.8 39.3
163 5 3 -1 28.563 57.125 0.31 6.45 4 124.7 95.6
164 4 5 0 28.633 57.265 0.311 6.41 4 50.4 15.6
165 1 5 -3 28.977 57.954 0.314 6.24 4 228.3 310.4
166 2 1 3 29.013 58.026 0.315 6.22 4 100.2 59.6
167 3 6 -2 29.11 58.221 0.316 6.18 4 202.9 242.7
168 0 8 0 29.193 58.386 0.317 6.14 2 171.8 86.4
169 2 5 -3 29.264 58.528 0.317 6.1 4 62.9 23.1
170 4 3 -3 29.284 58.568 0.318 6.1 4 123.6 88.8
171 4 5 -2 29.424 58.848 0.319 6.03 4 128.0 94.3
172 4 4 1 29.458 58.915 0.319 6.01 4 30.7 5.4
173 1 4 3 29.601 59.201 0.321 5.95 4 250.0 355.0
174 5 3 -2 29.635 59.271 0.321 5.93 4 138.3 108.3
175 1 7 -2 29.678 59.356 0.321 5.91 4 27.4 4.2
176 2 2 3 29.76 59.521 0.322 5.88 4 208.9 244.7
177 1 8 0 29.764 59.528 0.322 5.88 4 122.0 83.5
178 5 3 0 29.804 59.608 0.323 5.86 4 82.5 38.1
179 0 5 3 29.836 59.672 0.323 5.84 4 146.0 118.9
180 2 7 1 29.85 59.701 0.323 5.84 4 7.7 0.3
181 3 4 2 29.856 59.711 0.323 5.84 4 33.7 6.3
182 3 6 1 29.951 59.902 0.324 5.79 4 89.7 44.5
183 0 7 2 30.056 60.113 0.325 5.75 4 48.7 13.0
184 2 0 -4 30.134 60.267 0.326 5.72 2 141.5 54.6
185 5 4 -1 30.305 60.609 0.328 5.64 4 163.1 143.3
186 3 7 -1 30.319 60.638 0.328 5.64 4 65.3 23.0
187 0 8 1 30.335 60.67 0.328 5.63 4 1.1 0.0
188 2 1 -4 30.378 60.756 0.328 5.61 4 35.7 6.8
189 1 8 -1 30.428 60.856 0.329 5.59 4 14.0 1.0
190 2 7 -2 30.43 60.86 0.329 5.59 4 139.5 103.9
191 1 1 -4 30.566 61.132 0.33 5.54 4 37.9 7.6
192 3 7 0 30.594 61.188 0.33 5.53 4 108.0 61.5
193 4 6 -1 30.605 61.21 0.33 5.52 4 151.5 120.9
194 3 5 -3 30.677 61.354 0.331 5.49 4 8.2 0.4
195 5 0 -3 30.744 61.487 0.332 5.47 2 11.6 0.3
196 4 0 2 30.814 61.628 0.333 5.44 2 111.2 32.1
197 2 3 3 30.981 61.962 0.334 5.37 4 31.7 5.2
198 5 1 -3 30.985 61.971 0.334 5.37 4 53.5 14.7
199 2 6 2 30.996 61.992 0.334 5.37 4 70.2 25.3
200 4 4 -3 31.001 62.002 0.334 5.37 4 123.4 78.0
201 4 1 2 31.055 62.111 0.335 5.35 4 6.4 0.2
202 5 0 1 31.073 62.146 0.335 5.34 2 123.5 38.9
203 2 2 -4 31.105 62.211 0.335 5.33 4 31.3 5.0
204 1 2 -4 31.291 62.581 0.337 5.26 4 39.7 7.9
205 3 1 -4 31.304 62.608 0.337 5.25 4 44.1 9.7
206 5 1 1 31.313 62.626 0.337 5.25 4 171.7 147.6
207 4 6 0 31.34 62.679 0.338 5.24 4 7.5 0.3
208 5 4 -2 31.341 62.681 0.338 5.24 4 55.7 15.5
209 1 8 1 31.355 62.709 0.338 5.23 4 54.5 14.9
210 2 8 0 31.44 62.88 0.339 5.2 4 52.7 13.8
211 5 4 0 31.504 63.007 0.339 5.18 4 61.8 18.9
212 1 7 2 31.541 63.082 0.34 5.17 4 12.9 0.8
213 0 0 4 31.618 63.236 0.34 5.14 2 28.5 2.0
214 2 8 -1 31.628 63.257 0.34 5.14 4 0.2 0.0
215 4 5 1 31.647 63.295 0.341 5.13 4 119.1 69.4
216 1 6 -3 31.666 63.332 0.341 5.12 4 115.3 64.9
217 5 2 -3 31.705 63.409 0.341 5.11 4 32.0 5.0
218 4 2 2 31.774 63.547 0.342 5.08 4 163.6 129.8
219 1 5 3 31.785 63.569 0.342 5.08 4 18.8 1.7
220 0 1 4 31.856 63.712 0.343 5.06 4 52.4 13.3
221 2 6 -3 31.938 63.876 0.343 5.03 4 77.6 28.9
222 3 2 -4 32.019 64.038 0.344 5.0 4 65.3 20.4
223 5 2 1 32.028 64.056 0.344 5.0 4 46.4 10.3
224 3 5 2 32.029 64.059 0.344 5.0 4 27.3 3.6
225 4 6 -2 32.09 64.181 0.345 4.98 4 71.3 24.1
226 3 7 -2 32.266 64.532 0.347 4.92 4 127.4 76.1
227 2 3 -4 32.296 64.593 0.347 4.91 4 42.0 8.3
228 6 1 -1 32.312 64.623 0.347 4.9 4 25.0 2.9
229 5 5 -1 32.461 64.922 0.348 4.85 4 44.6 9.2
230 1 3 -4 32.478 64.956 0.349 4.85 4 7.2 0.2
231 0 6 3 32.483 64.965 0.349 4.85 4 25.9 3.1
232 0 2 4 32.564 65.129 0.349 4.82 4 66.7 20.4
233 6 0 -2 32.632 65.265 0.35 4.8 2 64.2 9.4
234 2 4 3 32.645 65.291 0.35 4.79 4 66.6 20.3
235 6 1 -2 32.866 65.733 0.352 4.73 4 108.5 53.1
236 5 3 -3 32.884 65.767 0.352 4.72 4 75.0 25.3
237 3 0 3 32.936 65.871 0.353 4.7 2 51.6 6.0
238 4 3 2 32.951 65.902 0.353 4.7 4 43.3 8.4
239 6 2 -1 33.015 66.03 0.354 4.68 4 148.9 99.0
240 4 0 -4 33.058 66.115 0.354 4.67 2 266.7 158.4
241 3 7 1 33.06 66.119 0.354 4.67 4 133.1 78.9
242 4 5 -3 33.132 66.263 0.355 4.65 4 36.4 5.9
243 3 1 3 33.169 66.337 0.355 4.63 4 17.7 1.4
244 3 3 -4 33.192 66.384 0.355 4.63 4 65.2 18.8
245 5 3 1 33.201 66.402 0.355 4.62 4 63.8 18.0
246 1 8 -2 33.268 66.535 0.356 4.6 4 35.1 5.4
247 3 6 -3 33.285 66.571 0.356 4.6 4 99.0 43.1
248 4 1 -4 33.29 66.58 0.356 4.6 4 121.6 64.9
249 2 8 1 33.429 66.859 0.358 4.56 4 164.3 117.4
250 5 5 -2 33.46 66.919 0.358 4.55 4 66.3 19.1
251 6 2 -2 33.563 67.127 0.359 4.52 4 89.4 34.5
252 5 5 0 33.617 67.234 0.359 4.5 4 16.2 1.1
253 0 8 2 33.623 67.246 0.359 4.5 4 59.5 15.2
254 4 7 -1 33.679 67.359 0.36 4.49 4 80.4 27.7
255 6 0 0 33.682 67.364 0.36 4.49 2 23.1 1.1
256 0 3 4 33.727 67.455 0.36 4.47 4 56.2 13.5
257 1 9 0 33.811 67.621 0.361 4.45 4 105.9 47.7
258 3 2 3 33.863 67.725 0.362 4.44 4 35.9 5.4
259 3 8 -1 33.87 67.74 0.362 4.43 4 15.1 1.0
260 6 1 0 33.913 67.825 0.362 4.42 4 0.0 0.0
261 2 4 -4 33.926 67.852 0.362 4.42 4 143.9 87.4
262 2 8 -2 33.975 67.949 0.363 4.41 4 39.4 6.5
263 4 2 -4 33.983 67.966 0.363 4.4 4 47.4 9.4
264 2 7 2 34.051 68.102 0.363 4.39 4 130.8 71.6
265 1 4 -4 34.103 68.206 0.364 4.37 4 30.0 3.8
266 3 8 0 34.129 68.259 0.364 4.36 4 14.2 0.8
267 6 3 -1 34.17 68.34 0.365 4.35 4 113.2 53.2
268 1 1 4 34.179 68.358 0.365 4.35 4 171.3 121.9
269 4 6 1 34.216 68.431 0.365 4.34 4 21.5 1.9
270 0 9 1 34.344 68.687 0.366 4.31 4 49.3 10.0
271 1 6 3 34.347 68.695 0.366 4.31 4 26.7 2.9
272 4 7 0 34.379 68.757 0.367 4.3 4 6.4 0.2
273 1 9 -1 34.431 68.862 0.367 4.29 4 46.6 8.9
274 5 4 -3 34.499 68.998 0.368 4.27 4 118.7 57.4
275 4 4 2 34.565 69.13 0.368 4.25 4 185.8 140.1
276 3 6 2 34.583 69.166 0.368 4.25 4 13.7 0.8
277 6 2 0 34.599 69.199 0.369 4.24 4 16.4 1.1
278 1 7 -3 34.69 69.379 0.369 4.22 4 100.2 40.4
279 6 3 -2 34.71 69.42 0.37 4.22 4 101.4 41.4
280 2 5 3 34.722 69.445 0.37 4.21 4 19.7 1.6
281 3 4 -4 34.8 69.6 0.37 4.19 4 165.3 109.3
282 5 4 1 34.809 69.618 0.371 4.19 4 170.4 116.2
283 1 2 4 34.863 69.727 0.371 4.18 4 86.8 30.0
284 2 7 -3 34.95 69.9 0.372 4.16 4 65.6 17.0
285 5 6 -1 34.998 69.997 0.372 4.15 4 16.8 1.1
286 3 3 3 35.004 70.009 0.372 4.14 4 26.2 2.7
287 1 8 2 35.025 70.05 0.373 4.14 4 89.6 31.7
288 4 7 -2 35.095 70.191 0.373 4.12 4 19.2 1.5
289 4 3 -4 35.123 70.245 0.373 4.12 4 35.8 5.0
290 1 9 1 35.301 70.602 0.375 4.07 4 71.6 19.9
291 0 4 4 35.324 70.648 0.375 4.07 4 43.3 7.3
292 2 9 0 35.382 70.764 0.376 4.06 4 165.8 106.4
293 0 7 3 35.471 70.942 0.377 4.04 4 100.6 39.0
294 6 1 -3 35.526 71.052 0.377 4.02 4 38.8 5.8
295 2 9 -1 35.559 71.119 0.377 4.02 4 87.4 29.3
296 4 6 -3 35.646 71.291 0.378 4.0 4 35.1 4.7
297 3 8 -2 35.714 71.429 0.379 3.98 4 55.0 11.5
298 6 3 0 35.73 71.461 0.379 3.98 4 15.3 0.9
299 6 4 -1 35.758 71.515 0.379 3.97 4 43.1 7.0
300 5 6 -2 35.963 71.926 0.381 3.93 4 66.0 16.3
301 2 5 -4 35.967 71.935 0.381 3.93 4 86.9 28.3
302 1 3 4 35.991 71.981 0.381 3.92 4 32.4 3.9
303 5 6 0 36.115 72.231 0.383 3.9 4 32.2 3.9
304 1 5 -4 36.14 72.28 0.383 3.89 4 44.1 7.2
305 6 2 -3 36.199 72.398 0.383 3.88 4 85.6 27.1
306 3 7 -3 36.242 72.484 0.384 3.87 4 49.3 9.0
307 5 1 -4 36.251 72.502 0.384 3.87 4 57.4 12.1
308 6 4 -2 36.287 72.574 0.384 3.86 4 34.2 4.3
309 3 8 1 36.472 72.943 0.386 3.82 4 43.1 6.8
310 5 5 -3 36.526 73.053 0.386 3.81 4 21.3 1.6
311 3 4 3 36.576 73.152 0.387 3.8 4 50.3 9.2
312 4 5 2 36.591 73.182 0.387 3.8 4 88.4 28.3
313 4 4 -4 36.692 73.384 0.388 3.78 4 34.6 4.3
314 5 1 2 36.706 73.412 0.388 3.78 4 133.0 63.8
315 3 5 -4 36.82 73.641 0.389 3.75 4 29.0 3.0
316 5 5 1 36.829 73.658 0.389 3.75 4 39.2 5.5
317 5 2 -4 36.918 73.837 0.39 3.74 4 68.0 16.5
318 4 8 -1 37.065 74.131 0.391 3.71 4 96.6 33.0
319 1 9 -2 37.114 74.228 0.392 3.7 4 168.7 100.4
320 4 7 1 37.139 74.278 0.392 3.69 4 19.7 1.4
321 2 6 3 37.188 74.376 0.392 3.69 4 31.5 3.5
322 2 0 4 37.228 74.456 0.393 3.68 2 30.0 1.6
323 1 7 3 37.266 74.533 0.393 3.67 4 6.9 0.2
324 2 9 1 37.269 74.537 0.393 3.67 4 27.7 2.7
325 6 4 0 37.289 74.579 0.393 3.67 4 99.4 34.6
326 6 3 -3 37.31 74.619 0.393 3.66 4 50.0 8.7
327 0 5 4 37.333 74.665 0.394 3.66 4 130.5 59.5
328 5 2 2 37.37 74.741 0.394 3.65 4 73.3 18.7
329 2 8 2 37.422 74.845 0.394 3.64 4 54.9 10.5
330 2 1 4 37.449 74.897 0.395 3.64 4 12.8 0.6
331 0 9 2 37.453 74.907 0.395 3.64 4 59.5 12.3
332 3 7 2 37.494 74.988 0.395 3.63 4 13.6 0.6
333 6 1 1 37.537 75.073 0.395 3.62 4 80.9 22.7
334 1 4 4 37.545 75.091 0.396 3.62 4 46.3 7.4
335 0 10 0 37.567 75.134 0.396 3.62 2 142.1 34.8
336 3 9 -1 37.69 75.379 0.397 3.6 4 19.9 1.4
337 4 8 0 37.737 75.475 0.397 3.59 4 59.3 12.0
338 6 5 -1 37.757 75.514 0.397 3.58 4 36.3 4.5
339 2 9 -2 37.79 75.579 0.398 3.58 4 151.5 78.4
340 5 7 -1 37.896 75.793 0.399 3.56 4 81.1 22.3
341 3 9 0 37.938 75.875 0.399 3.55 4 21.0 1.5
342 5 3 -4 38.021 76.043 0.4 3.54 4 55.8 10.5
343 1 8 -3 38.037 76.074 0.4 3.54 4 2.7 0.0
344 1 10 0 38.072 76.145 0.4 3.53 4 29.8 3.0
345 4 1 3 38.086 76.173 0.4 3.53 4 22.2 1.7
346 2 2 4 38.108 76.217 0.401 3.53 4 6.8 0.2
347 6 2 1 38.196 76.392 0.401 3.51 4 4.6 0.1
348 6 5 -2 38.276 76.552 0.402 3.5 4 137.1 62.7
349 2 8 -3 38.288 76.577 0.402 3.5 4 78.1 20.4
350 2 6 -4 38.401 76.802 0.403 3.48 4 24.7 2.0
351 7 0 -1 38.407 76.814 0.403 3.48 2 70.7 8.3
352 4 8 -2 38.429 76.858 0.403 3.48 4 153.1 77.7
353 5 3 2 38.469 76.938 0.404 3.47 4 69.8 16.1
354 4 7 -3 38.525 77.05 0.404 3.46 4 41.5 5.7
355 3 5 3 38.56 77.119 0.405 3.45 4 17.5 1.0
356 1 6 -4 38.569 77.139 0.405 3.45 4 21.0 1.5
357 0 10 1 38.581 77.161 0.405 3.45 4 145.0 69.3
358 7 1 -1 38.625 77.251 0.405 3.44 4 77.3 19.6
359 1 10 -1 38.664 77.328 0.406 3.44 4 62.9 13.0
360 4 5 -4 38.674 77.347 0.406 3.44 4 129.1 54.7
361 7 1 -2 38.723 77.446 0.406 3.43 4 73.4 17.6
362 4 2 3 38.743 77.485 0.406 3.43 4 83.1 22.6
363 0 8 3 38.792 77.584 0.407 3.42 4 91.5 27.4
364 1 9 2 38.798 77.596 0.407 3.42 4 55.8 10.1
365 5 7 -2 38.833 77.666 0.407 3.41 4 68.2 15.2
366 6 4 -3 38.845 77.69 0.407 3.41 4 57.8 10.9
367 5 6 -3 38.947 77.894 0.408 3.4 4 62.8 12.8
368 5 7 0 38.982 77.963 0.408 3.39 4 31.3 3.2
369 2 1 -5 39.003 78.005 0.409 3.39 4 160.6 83.4
370 4 6 2 39.01 78.02 0.409 3.39 4 59.9 11.6
371 2 3 4 39.2 78.4 0.41 3.36 4 14.7 0.7
372 3 0 -5 39.2 78.401 0.41 3.36 2 29.9 1.4
373 3 6 -4 39.235 78.47 0.411 3.36 4 102.8 33.8
374 5 6 1 39.244 78.487 0.411 3.35 4 51.9 8.6
375 6 5 0 39.261 78.521 0.411 3.35 4 1.7 0.0
376 7 2 -1 39.279 78.558 0.411 3.35 4 61.2 12.0
377 6 3 1 39.287 78.573 0.411 3.35 4 86.3 23.8
378 1 0 -5 39.369 78.739 0.412 3.34 2 85.7 11.7
379 7 2 -2 39.376 78.752 0.412 3.34 4 82.6 21.7
380 3 1 -5 39.418 78.835 0.412 3.33 4 26.9 2.3
381 3 9 -2 39.462 78.925 0.413 3.32 4 40.4 5.2
382 1 10 1 39.498 78.996 0.413 3.32 4 27.6 2.4
383 1 5 4 39.513 79.025 0.413 3.32 4 6.9 0.2
384 3 8 -3 39.539 79.079 0.413 3.31 4 57.6 10.5
385 5 4 -4 39.548 79.096 0.413 3.31 4 29.0 2.7
386 2 10 0 39.576 79.152 0.414 3.31 4 48.4 7.4
387 1 1 -5 39.586 79.173 0.414 3.31 4 59.3 11.1
388 2 2 -5 39.654 79.308 0.414 3.3 4 144.8 66.0
389 0 6 4 39.737 79.474 0.415 3.29 4 32.6 3.3
390 2 10 -1 39.747 79.493 0.415 3.29 4 70.1 15.4
391 4 3 3 39.829 79.658 0.416 3.28 4 86.2 23.2
392 6 0 -4 39.898 79.796 0.416 3.27 2 75.8 9.0
393 5 4 2 39.991 79.981 0.417 3.26 4 4.8 0.1
394 2 7 3 40.028 80.056 0.417 3.25 4 15.1 0.7
395 3 2 -5 40.067 80.135 0.418 3.25 4 50.0 7.8
396 6 1 -4 40.114 80.229 0.418 3.24 4 173.1 92.7
397 6 6 -1 40.154 80.307 0.419 3.24 4 117.9 43.0
398 3 9 1 40.195 80.391 0.419 3.23 4 150.2 69.6
399 1 2 -5 40.236 80.471 0.419 3.23 4 31.3 3.0
400 7 3 -1 40.361 80.723 0.42 3.21 4 83.1 21.2
401 4 8 1 40.412 80.825 0.421 3.2 4 142.8 62.4
402 7 3 -2 40.458 80.916 0.421 3.2 4 34.1 3.6
403 7 1 0 40.533 81.066 0.422 3.19 4 25.0 1.9
404 1 8 3 40.537 81.073 0.422 3.19 4 101.5 31.4
405 7 0 -3 40.607 81.213 0.422 3.18 2 100.0 15.2
406 6 6 -2 40.664 81.327 0.423 3.18 4 59.0 10.6
407 2 4 4 40.715 81.429 0.423 3.17 4 68.8 14.3
408 2 3 -5 40.734 81.469 0.424 3.17 4 68.7 14.3
409 3 8 2 40.759 81.518 0.424 3.16 4 79.9 19.3
410 6 2 -4 40.762 81.523 0.424 3.16 4 57.7 10.1
411 4 9 -1 40.772 81.543 0.424 3.16 4 68.1 14.0
412 6 5 -3 40.794 81.588 0.424 3.16 4 8.3 0.2
413 6 4 1 40.8 81.601 0.424 3.16 4 18.5 1.0
414 7 1 -3 40.822 81.644 0.424 3.16 4 58.6 10.4
415 4 1 -5 40.824 81.647 0.424 3.16 4 96.9 28.3
416 3 6 3 40.943 81.886 0.425 3.14 4 88.0 23.2
417 4 6 -4 41.055 82.111 0.426 3.13 4 74.4 16.5
418 2 9 2 41.119 82.238 0.427 3.13 4 59.6 10.6
419 3 3 -5 41.145 82.29 0.427 3.12 4 53.1 8.4
420 5 8 -1 41.152 82.304 0.427 3.12 4 73.6 16.1
421 0 1 5 41.159 82.317 0.427 3.12 4 23.2 1.6
422 7 2 0 41.179 82.357 0.427 3.12 4 150.2 67.1
423 2 7 -4 41.217 82.434 0.428 3.12 4 43.1 5.5
424 1 10 -2 41.249 82.499 0.428 3.11 4 10.1 0.3
425 1 3 -5 41.312 82.625 0.429 3.11 4 47.5 6.7
426 4 4 3 41.338 82.676 0.429 3.1 4 32.5 3.1
427 1 7 -4 41.382 82.765 0.429 3.1 4 9.1 0.2
428 2 10 1 41.399 82.798 0.429 3.1 4 4.1 0.0
429 4 9 0 41.426 82.853 0.429 3.09 4 44.8 5.9
430 7 2 -3 41.467 82.934 0.43 3.09 4 64.0 12.1
431 4 2 -5 41.468 82.937 0.43 3.09 4 40.5 4.8
432 5 5 -4 41.489 82.978 0.43 3.09 4 92.4 25.2
433 0 10 2 41.579 83.158 0.431 3.08 4 77.7 17.7
434 3 1 4 41.608 83.216 0.431 3.08 4 1.7 0.0
435 6 6 0 41.634 83.268 0.431 3.07 4 60.1 10.6
436 1 9 -3 41.719 83.438 0.432 3.06 4 39.7 4.6
437 5 7 -3 41.754 83.508 0.432 3.06 4 35.5 3.7
438 4 8 -3 41.768 83.535 0.432 3.06 4 112.5 37.0
439 0 2 5 41.802 83.605 0.433 3.06 4 107.3 33.6
440 3 10 -1 41.809 83.617 0.433 3.06 4 89.1 23.2
441 4 7 2 41.816 83.632 0.433 3.06 4 49.0 7.0
442 6 3 -4 41.835 83.671 0.433 3.05 4 104.3 31.7
443 7 4 -1 41.866 83.733 0.433 3.05 4 8.2 0.2
444 1 6 4 41.883 83.765 0.433 3.05 4 7.9 0.2
445 2 10 -2 41.906 83.812 0.434 3.05 4 2.5 0.0
446 5 5 2 41.927 83.854 0.434 3.04 4 76.2 16.9
447 7 4 -2 41.962 83.924 0.434 3.04 4 20.2 1.2
448 2 9 -3 41.964 83.929 0.434 3.04 4 52.9 8.1
449 3 7 -4 42.037 84.075 0.435 3.03 4 21.1 1.3
450 5 7 1 42.046 84.091 0.435 3.03 4 106.4 32.8
451 3 10 0 42.05 84.101 0.435 3.03 4 25.2 1.8
452 5 8 -2 42.07 84.141 0.435 3.03 4 55.7 9.0
453 4 9 -2 42.102 84.204 0.435 3.03 4 19.4 1.1
454 5 8 0 42.216 84.432 0.436 3.02 4 76.5 16.9
455 2 4 -5 42.237 84.473 0.436 3.02 4 28.5 2.3
456 7 3 0 42.251 84.501 0.436 3.02 4 114.1 37.5
457 3 2 4 42.251 84.502 0.436 3.02 4 206.3 122.5
458 0 9 3 42.458 84.916 0.438 3.0 4 56.0 9.0
459 0 7 4 42.532 85.065 0.439 2.99 4 18.9 1.0
460 7 3 -3 42.538 85.075 0.439 2.99 4 32.4 3.0
461 4 3 -5 42.539 85.079 0.439 2.99 4 124.5 44.3
462 1 11 0 42.609 85.219 0.439 2.99 4 58.1 9.6
463 2 5 4 42.645 85.289 0.44 2.98 4 90.0 23.1
464 3 4 -5 42.645 85.29 0.44 2.98 4 147.4 61.8
465 6 5 1 42.73 85.46 0.44 2.98 4 9.6 0.3
466 6 0 2 42.807 85.614 0.441 2.97 2 168.4 40.2
467 1 4 -5 42.811 85.622 0.441 2.97 4 54.8 8.5
468 0 3 5 42.872 85.744 0.442 2.96 4 6.9 0.1
469 1 10 2 42.891 85.782 0.442 2.96 4 51.9 7.6
470 6 7 -1 42.944 85.887 0.442 2.96 4 7.2 0.1
471 5 0 -5 42.988 85.977 0.443 2.95 2 21.6 0.7
472 6 1 2 43.021 86.042 0.443 2.95 4 6.5 0.1
473 0 11 1 43.105 86.211 0.444 2.95 4 93.6 24.6
474 6 6 -3 43.151 86.302 0.444 2.94 4 96.2 26.0
475 1 11 -1 43.187 86.374 0.444 2.94 4 55.6 8.7
476 3 9 -3 43.192 86.384 0.444 2.94 4 97.4 26.6
477 5 1 -5 43.202 86.404 0.444 2.94 4 66.2 12.3
478 2 8 3 43.247 86.493 0.445 2.94 4 77.5 16.8
479 4 5 3 43.264 86.527 0.445 2.93 4 64.7 11.7
480 3 3 4 43.319 86.638 0.445 2.93 4 46.1 5.9
481 6 4 -4 43.332 86.664 0.445 2.93 4 62.0 10.7
482 6 7 -2 43.448 86.896 0.446 2.92 4 64.9 11.8
483 1 0 5 43.487 86.974 0.447 2.92 2 77.4 8.3
484 3 10 -2 43.543 87.085 0.447 2.91 4 76.2 16.2
485 5 0 3 43.57 87.14 0.447 2.91 2 21.7 0.7
486 6 2 2 43.661 87.322 0.448 2.91 4 36.6 3.7
487 1 1 5 43.7 87.4 0.448 2.9 4 54.2 8.1
488 3 7 3 43.725 87.449 0.449 2.9 4 111.2 34.2
489 7 4 0 43.745 87.49 0.449 2.9 4 3.7 0.0
490 5 1 3 43.783 87.566 0.449 2.9 4 55.2 8.4
491 7 5 -1 43.789 87.578 0.449 2.9 4 98.7 26.9
492 4 7 -4 43.836 87.672 0.45 2.89 4 17.8 0.9
493 5 6 -4 43.84 87.68 0.45 2.89 4 122.0 41.1
494 5 2 -5 43.842 87.683 0.45 2.89 4 47.5 6.2
495 7 5 -2 43.884 87.769 0.45 2.89 4 11.8 0.4
496 1 11 1 44.004 88.009 0.451 2.88 4 98.1 26.5
497 7 4 -3 44.031 88.063 0.451 2.88 4 8.5 0.2
498 4 4 -5 44.033 88.066 0.451 2.88 4 49.5 6.7
499 4 9 1 44.052 88.105 0.451 2.88 4 127.9 45.0
500 2 11 0 44.081 88.161 0.452 2.88 4 88.4 21.5
501 2 5 -5 44.158 88.315 0.452 2.87 4 20.3 1.1
502 1 9 3 44.175 88.35 0.452 2.87 4 66.1 12.0
503 7 0 1 44.179 88.359 0.452 2.87 2 30.2 1.2
504 2 11 -1 44.248 88.497 0.453 2.87 4 20.3 1.1
505 3 10 1 44.264 88.529 0.453 2.87 4 57.0 8.9
506 5 6 2 44.276 88.551 0.453 2.87 4 35.1 3.4
507 1 2 5 44.339 88.679 0.454 2.86 4 142.1 55.2
508 0 4 5 44.365 88.729 0.454 2.86 4 10.2 0.3
509 7 1 1 44.392 88.785 0.454 2.86 4 68.3 12.7
510 3 9 2 44.395 88.79 0.454 2.86 4 30.8 2.6
511 6 7 0 44.41 88.821 0.454 2.86 4 79.8 17.4
512 5 2 3 44.422 88.844 0.454 2.86 4 32.6 2.9
513 2 8 -4 44.423 88.845 0.454 2.86 4 36.6 3.7
514 3 5 -5 44.564 89.129 0.455 2.85 4 27.5 2.1
515 1 8 -4 44.587 89.174 0.456 2.85 4 120.4 39.4
516 1 7 4 44.658 89.315 0.456 2.85 4 146.2 58.0
517 6 3 2 44.726 89.452 0.457 2.84 4 90.9 22.4
518 1 5 -5 44.73 89.46 0.457 2.84 4 111.4 33.7
519 5 9 -1 44.784 89.569 0.457 2.84 4 146.2 57.9
520 3 4 4 44.811 89.622 0.457 2.84 4 11.6 0.4
521 4 10 -1 44.834 89.667 0.458 2.84 4 139.0 52.3
522 7 1 -4 44.869 89.738 0.458 2.84 4 111.0 33.3
523 5 3 -5 44.907 89.814 0.458 2.83 4 93.2 23.5
524 5 8 -3 44.955 89.911 0.459 2.83 4 32.1 2.8
525 2 6 4 44.99 89.98 0.459 2.83 4 11.6 0.4
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 6.357 12.715 6.9565 152.7 11.2 11.4 5.6
2 0 2 0 7.004 14.008 6.317 65.6 4.8 4.9 5.6
3 1 0 -1 7.838 15.676 5.64845 695.0 50.9 51.6 5.6
4 0 1 1 8.311 16.622 5.32881 559.8 41.0 41.5 5.6
5 1 1 -1 8.591 17.182 5.15655 389.7 28.6 28.9 5.6
6 1 2 0 8.801 17.603 5.03416 1363.8 100.0 101.1 5.6
7 0 2 1 10.312 20.625 4.30288 93.7 6.9 6.9 5.6
8 1 2 -1 10.541 21.082 4.21065 22.2 1.6 1.6 5.6
9 2 0 0 10.653 21.306 4.16678 47.7 3.5 3.5 5.6
10 2 1 0 11.225 22.449 3.95712 171.1 12.5 12.6 5.6
11 2 1 -1 11.656 23.313 3.8125 384.0 28.1 28.4 5.6
12 1 3 0 11.826 23.651 3.75866 110.0 8.1 8.1 5.6
13 1 2 1 12.617 25.234 3.52635 79.8 5.8 5.9 5.6
14 2 2 0 12.795 25.589 3.47825 113.5 8.3 8.4 5.6
15 0 3 1 13.004 26.008 3.42322 80.8 5.9 6.0 5.6
16 2 2 -1 13.178 26.356 3.37881 240.8 17.6 17.7 5.6
17 1 3 1 14.921 29.842 2.99152 98.6 7.2 7.2 5.6
18 1 1 -2 14.97 29.939 2.98203 51.8 3.8 3.8 5.6
19 2 3 0 15.073 30.147 2.96198 1017.7 74.6 74.8 5.6
20 1 4 0 15.118 30.236 2.95348 763.1 55.9 56.1 5.6
21 0 0 2 15.196 30.393 2.93859 1082.5 79.3 79.5 5.6
22 2 1 1 15.265 30.53 2.92569 90.6 6.6 6.7 5.6
23 0 1 2 15.612 31.224 2.86218 218.2 16.0 16.0 5.6
24 3 0 -1 15.642 31.284 2.85688 969.4 71.1 71.2 5.6
25 0 4 1 16.073 32.146 2.78218 809.3 59.3 59.4 5.6
26 1 2 -2 16.204 32.408 2.76027 1147.7 84.1 84.2 5.6
27 2 2 1 16.479 32.959 2.71541 1364.3 100.0 100.0 5.6
28 0 2 2 16.804 33.608 2.66441 288.2 21.1 21.1 5.7
29 3 2 -1 17.212 34.425 2.60305 396.5 29.1 29.0 5.7
30 2 2 -2 17.383 34.766 2.57828 36.4 2.7 2.7 5.7
31 3 2 0 17.633 35.266 2.54285 222.2 16.3 16.3 5.7
32 1 4 1 17.689 35.377 2.53513 1095.1 80.3 80.1 5.7
33 2 4 0 17.82 35.639 2.51708 262.7 19.3 19.2 5.7
34 1 1 2 17.973 35.947 2.49624 412.8 30.3 30.2 5.7
35 2 4 -1 18.106 36.211 2.47861 304.4 22.3 22.2 5.7
36 1 5 0 18.575 37.15 2.41809 498.0 36.5 36.4 5.7
37 0 3 2 18.641 37.281 2.40989 198.5 14.6 14.5 5.7
38 3 3 -1 19.015 38.029 2.36421 239.7 17.6 17.5 5.7
39 3 1 -2 19.054 38.108 2.35952 345.8 25.3 25.2 5.7
40 2 3 -2 19.171 38.343 2.3456 59.1 4.3 4.3 5.7
41 3 3 0 19.401 38.803 2.31883 305.3 22.4 22.3 5.7
42 1 5 -1 19.509 39.018 2.30653 419.4 30.7 30.6 5.7
43 3 0 1 19.863 39.725 2.26708 132.1 9.7 9.6 5.7
44 3 2 -2 20.067 40.133 2.24499 294.8 21.6 21.5 5.7
45 3 1 1 20.194 40.387 2.23144 181.3 13.3 13.2 5.7
46 1 4 -2 20.486 40.971 2.20098 255.1 18.7 18.6 5.7
47 2 4 1 20.711 41.423 2.17803 113.4 8.3 8.2 5.7
48 1 5 1 20.772 41.544 2.17196 15.9 1.2 1.2 5.7
49 2 5 0 20.886 41.773 2.16057 39.4 2.9 2.9 5.7
50 0 4 2 20.979 41.958 2.15144 58.3 4.3 4.2 5.7
51 3 2 1 21.161 42.321 2.13383 142.2 10.4 10.3 5.7
52 2 0 2 21.252 42.503 2.12512 65.1 4.8 4.7 5.7
53 0 6 0 21.458 42.915 2.10567 176.8 13.0 12.8 5.7
54 3 3 -2 21.667 43.333 2.08633 394.7 28.9 28.6 5.7
55 4 0 0 21.699 43.397 2.08339 16.8 1.2 1.2 5.7
56 4 2 -1 21.993 43.986 2.05686 199.4 14.6 14.5 5.7
57 1 0 -3 22.118 44.237 2.04578 247.6 18.2 18.0 5.7
58 1 6 0 22.167 44.334 2.04151 366.4 26.9 26.6 5.7
59 1 1 -3 22.422 44.844 2.01947 160.5 11.8 11.6 5.7
60 2 2 2 22.484 44.968 2.01419 70.4 5.2 5.1 5.7
61 4 0 -2 22.659 45.318 1.99946 251.0 18.4 18.2 5.7
62 3 3 1 22.698 45.396 1.99621 32.6 2.4 2.4 5.7
63 2 1 -3 22.766 45.532 1.99055 350.9 25.7 25.4 5.7
64 0 6 1 22.866 45.733 1.98228 46.5 3.4 3.4 5.7
65 4 2 0 22.912 45.824 1.97856 146.8 10.8 10.6 5.7
66 1 6 -1 22.98 45.959 1.97303 146.1 10.7 10.6 5.7
67 0 1 3 23.446 46.892 1.93592 46.3 3.4 3.3 5.7
68 4 3 -1 23.487 46.973 1.93277 48.3 3.5 3.5 5.7
69 2 2 -3 23.648 47.296 1.92033 143.6 10.5 10.4 5.7
70 3 4 -2 23.76 47.52 1.91182 133.3 9.8 9.6 5.7
71 4 2 -2 23.834 47.667 1.90625 75.1 5.5 5.4 5.7
72 2 3 2 23.954 47.908 1.89724 39.6 2.9 2.9 5.7
73 3 5 -1 24.015 48.03 1.89271 17.4 1.3 1.3 5.7
74 3 0 -3 24.149 48.298 1.88282 171.5 12.6 12.4 5.7
75 2 6 0 24.197 48.393 1.87933 117.5 8.6 8.5 5.7
76 0 2 3 24.309 48.619 1.87114 56.5 4.1 4.1 5.7
77 2 6 -1 24.42 48.841 1.86316 86.1 6.3 6.2 5.7
78 3 4 1 24.723 49.446 1.84176 85.0 6.2 6.1 5.7
79 2 3 -3 25.065 50.131 1.81819 20.1 1.5 1.4 5.7
80 1 5 2 25.433 50.866 1.79362 212.2 15.6 15.3 5.8
81 1 1 3 25.713 51.425 1.77543 45.3 3.3 3.3 5.8
82 1 7 0 25.892 51.784 1.76396 65.3 4.8 4.7 5.8
83 5 0 -1 26.216 52.431 1.7437 143.0 10.5 10.3 5.8
84 4 4 0 26.29 52.58 1.73913 30.9 2.3 2.2 5.8
85 1 6 -2 26.337 52.674 1.73624 225.7 16.5 16.2 5.8
86 4 2 1 26.367 52.734 1.73441 193.7 14.2 13.9 5.8
87 5 1 -1 26.483 52.967 1.72732 95.5 7.0 6.9 5.8
88 2 6 1 26.523 53.047 1.72491 584.0 42.8 41.9 5.8
89 3 3 -3 26.624 53.248 1.71885 18.3 1.3 1.3 5.8
90 1 4 -3 26.654 53.308 1.71707 33.3 2.4 2.4 5.8
91 0 6 2 26.746 53.492 1.71161 176.2 12.9 12.6 5.8
92 3 2 2 26.795 53.589 1.70872 98.2 7.2 7.0 5.8
93 3 6 -1 27.029 54.058 1.69501 223.5 16.4 16.0 5.8
94 4 4 -2 27.126 54.252 1.68941 101.0 7.4 7.2 5.8
95 4 1 -3 27.241 54.482 1.68281 28.7 2.1 2.1 5.8
96 5 2 -1 27.276 54.551 1.68084 241.6 17.7 17.3 5.8
97 3 6 0 27.325 54.649 1.67805 95.4 7.0 6.8 5.8
98 0 4 3 27.56 55.12 1.66482 93.3 6.8 6.7 5.8
99 1 7 1 27.624 55.248 1.66128 17.9 1.3 1.3 5.8
100 4 3 1 27.682 55.365 1.65805 321.2 23.5 23.0 5.8
101 4 5 -1 27.855 55.71 1.6486 277.4 20.3 19.8 5.8
102 2 7 -1 27.92 55.84 1.64506 16.6 1.2 1.2 5.8
103 3 3 2 28.097 56.193 1.63556 56.6 4.2 4.0 5.8
104 2 5 2 28.269 56.538 1.62639 36.7 2.7 2.6 5.8
105 1 6 2 28.339 56.677 1.62274 96.0 7.0 6.9 5.8
106 3 4 -3 28.443 56.886 1.61727 164.5 12.1 11.7 5.8
107 5 3 -1 28.563 57.125 1.61106 134.9 9.9 9.6 5.8
108 4 5 0 28.633 57.265 1.60745 15.6 1.1 1.1 5.8
109 1 5 -3 28.977 57.954 1.58999 310.4 22.8 22.1 5.8
110 2 1 3 29.013 58.026 1.58818 59.6 4.4 4.3 5.8
111 3 6 -2 29.11 58.221 1.58333 242.7 17.8 17.3 5.8
112 0 8 0 29.193 58.386 1.57925 86.4 6.3 6.2 5.8
113 4 3 -3 29.284 58.568 1.57476 111.9 8.2 8.0 5.8
114 4 5 -2 29.424 58.848 1.56795 94.3 6.9 6.7 5.8
115 1 4 3 29.601 59.201 1.55942 355.0 26.0 25.3 5.8
116 5 3 -2 29.635 59.271 1.55776 108.3 7.9 7.7 5.8
117 2 2 3 29.76 59.521 1.55182 328.2 24.1 23.3 5.8
118 5 3 0 29.804 59.608 1.54975 38.1 2.8 2.7 5.8
119 0 5 3 29.836 59.672 1.54823 125.6 9.2 8.9 5.8
120 3 6 1 29.951 59.902 1.54284 44.5 3.3 3.2 5.8
121 2 0 -4 30.134 60.267 1.53437 54.6 4.0 3.9 5.8
122 5 4 -1 30.305 60.609 1.52652 166.3 12.2 11.8 5.8
123 2 7 -2 30.43 60.86 1.52083 104.9 7.7 7.4 5.8
124 4 6 -1 30.605 61.21 1.51298 190.0 13.9 13.5 5.8
125 4 0 2 30.814 61.628 1.50372 32.1 2.4 2.3 5.8
126 4 4 -3 31.001 62.002 1.49554 123.0 9.0 8.7 5.8
127 5 0 1 31.073 62.146 1.49243 38.9 2.9 2.8 5.8
128 5 1 1 31.313 62.626 1.48212 195.6 14.3 13.8 5.8
129 2 8 0 31.44 62.88 1.47674 13.8 1.0 1.0 5.9
130 5 4 0 31.504 63.007 1.47407 18.9 1.4 1.3 5.9
131 4 5 1 31.647 63.295 1.46806 134.3 9.8 9.5 5.9
132 4 2 2 31.774 63.547 1.46285 131.5 9.6 9.3 5.9
133 2 6 -3 31.938 63.876 1.45609 28.9 2.1 2.0 5.9
134 3 2 -4 32.019 64.038 1.45281 34.2 2.5 2.4 5.9
135 4 6 -2 32.09 64.181 1.44993 24.1 1.8 1.7 5.9
136 3 7 -2 32.266 64.532 1.44287 76.1 5.6 5.4 5.9
137 0 2 4 32.564 65.129 1.43109 20.4 1.5 1.4 5.9
138 2 4 3 32.645 65.291 1.42793 29.7 2.2 2.1 5.9
139 6 1 -2 32.866 65.733 1.4194 78.4 5.7 5.5 5.9
140 4 3 2 32.951 65.902 1.41615 14.4 1.1 1.0 5.9
141 6 2 -1 33.015 66.03 1.41373 99.0 7.3 7.0 5.9
142 4 0 -4 33.058 66.115 1.41211 237.3 17.4 16.7 5.9
143 3 3 -4 33.192 66.384 1.40704 38.2 2.8 2.7 5.9
144 4 1 -4 33.29 66.58 1.40337 113.4 8.3 8.0 5.9
145 2 8 1 33.429 66.859 1.3982 117.4 8.6 8.3 5.9
146 5 5 -2 33.46 66.919 1.39708 19.1 1.4 1.3 5.9
147 6 2 -2 33.563 67.127 1.39326 34.5 2.5 2.4 5.9
148 0 8 2 33.623 67.246 1.39109 16.3 1.2 1.1 5.9
149 4 7 -1 33.679 67.359 1.38903 28.8 2.1 2.0 5.9
150 1 9 0 33.811 67.621 1.38428 47.7 3.5 3.3 5.9
151 2 4 -4 33.926 67.852 1.38014 87.4 6.4 6.1 5.9
152 4 2 -4 33.983 67.966 1.3781 16.0 1.2 1.1 5.9
153 2 7 2 34.051 68.102 1.37567 71.6 5.3 5.0 5.9
154 1 1 4 34.179 68.358 1.37114 175.1 12.8 12.3 5.9
155 5 4 -3 34.499 68.998 1.35998 57.4 4.2 4.0 5.9
156 4 4 2 34.565 69.13 1.3577 140.9 10.3 9.9 5.9
157 6 3 -2 34.71 69.42 1.35274 83.4 6.1 5.8 5.9
158 5 4 1 34.809 69.618 1.34937 225.5 16.5 15.8 5.9
159 1 2 4 34.863 69.727 1.34754 30.0 2.2 2.1 5.9
160 2 7 -3 34.95 69.9 1.34462 17.0 1.2 1.2 5.9
161 1 8 2 35.025 70.05 1.3421 35.6 2.6 2.5 5.9
162 1 9 1 35.301 70.602 1.33296 27.2 2.0 1.9 5.9
163 2 9 0 35.382 70.764 1.33031 106.4 7.8 7.4 5.9
164 0 7 3 35.471 70.942 1.3274 39.0 2.9 2.7 5.9
165 2 9 -1 35.559 71.119 1.32454 29.3 2.1 2.0 5.9
166 2 5 -4 35.967 71.935 1.31151 48.6 3.6 3.4 5.9
167 6 2 -3 36.199 72.398 1.30425 27.1 2.0 1.9 5.9
168 5 1 -4 36.251 72.502 1.30264 21.1 1.5 1.5 5.9
169 4 5 2 36.591 73.182 1.29221 37.5 2.7 2.6 6.0
170 5 1 2 36.706 73.412 1.28872 68.1 5.0 4.7 6.0
171 5 2 -4 36.918 73.837 1.28235 16.5 1.2 1.1 6.0
172 4 8 -1 37.065 74.131 1.278 33.0 2.4 2.3 6.0
173 1 9 -2 37.114 74.228 1.27655 101.8 7.5 7.1 6.0
174 6 4 0 37.289 74.579 1.27143 37.2 2.7 2.6 6.0
175 0 5 4 37.333 74.665 1.27017 68.2 5.0 4.7 6.0
176 5 2 2 37.37 74.741 1.26907 18.7 1.4 1.3 6.0
177 6 1 1 37.537 75.073 1.26427 30.1 2.2 2.1 6.0
178 0 10 0 37.567 75.134 1.2634 34.8 2.6 2.4 6.0
179 4 8 0 37.737 75.475 1.25854 16.6 1.2 1.1 6.0
180 2 9 -2 37.79 75.579 1.25706 78.4 5.7 5.4 6.0
181 5 7 -1 37.896 75.793 1.25404 22.3 1.6 1.5 6.0
182 6 5 -2 38.276 76.552 1.24349 83.1 6.1 5.7 6.0
183 4 8 -2 38.429 76.858 1.23931 88.0 6.5 6.1 6.0
184 5 3 2 38.469 76.938 1.23822 16.1 1.2 1.1 6.0
185 0 10 1 38.581 77.161 1.23518 71.7 5.3 4.9 6.0
186 7 1 -1 38.625 77.251 1.23398 19.6 1.4 1.4 6.0
187 4 5 -4 38.674 77.347 1.23268 67.7 5.0 4.7 6.0
188 4 2 3 38.743 77.485 1.23083 40.2 2.9 2.8 6.0
189 0 8 3 38.792 77.584 1.2295 37.5 2.7 2.6 6.0
190 5 7 -2 38.833 77.666 1.22841 26.1 1.9 1.8 6.0
191 4 6 2 39.01 78.02 1.22372 98.1 7.2 6.8 6.0
192 3 6 -4 39.235 78.47 1.21783 42.5 3.1 2.9 6.0
193 6 3 1 39.287 78.573 1.21649 35.8 2.6 2.5 6.0
194 7 2 -2 39.376 78.752 1.21417 33.4 2.4 2.3 6.0
195 1 1 -5 39.586 79.173 1.20877 18.5 1.4 1.3 6.0
196 2 2 -5 39.654 79.308 1.20705 66.0 4.8 4.5 6.0
197 2 10 -1 39.747 79.493 1.20471 18.7 1.4 1.3 6.0
198 4 3 3 39.829 79.658 1.20263 23.2 1.7 1.6 6.0
199 6 1 -4 40.114 80.229 1.1955 92.7 6.8 6.3 6.0
200 6 6 -1 40.154 80.307 1.19453 43.0 3.1 2.9 6.0
201 3 9 1 40.195 80.391 1.1935 69.6 5.1 4.8 6.0
202 7 3 -1 40.361 80.723 1.18943 21.2 1.6 1.4 6.1
203 4 8 1 40.412 80.825 1.18818 62.4 4.6 4.3 6.1
204 1 8 3 40.537 81.073 1.18517 33.3 2.4 2.3 6.1
205 7 0 -3 40.607 81.213 1.18348 15.2 1.1 1.0 6.1
206 2 4 4 40.715 81.429 1.18088 28.6 2.1 2.0 6.1
207 3 8 2 40.759 81.518 1.17983 43.3 3.2 3.0 6.1
208 4 1 -5 40.824 81.647 1.17828 39.7 2.9 2.7 6.1
209 3 6 3 40.943 81.886 1.17545 23.2 1.7 1.6 6.1
210 4 6 -4 41.055 82.111 1.1728 16.5 1.2 1.1 6.1
211 2 9 2 41.119 82.238 1.1713 19.0 1.4 1.3 6.1
212 7 2 0 41.179 82.357 1.16991 84.8 6.2 5.8 6.1
213 5 5 -4 41.489 82.978 1.16273 42.1 3.1 2.9 6.1
214 0 10 2 41.579 83.158 1.16067 17.8 1.3 1.2 6.1
215 4 8 -3 41.768 83.535 1.15638 40.6 3.0 2.8 6.1
216 0 2 5 41.802 83.605 1.1556 63.8 4.7 4.3 6.1
217 6 3 -4 41.835 83.671 1.15485 31.7 2.3 2.2 6.1
218 5 5 2 41.927 83.854 1.1528 16.9 1.2 1.1 6.1
219 3 10 0 42.05 84.101 1.15004 44.9 3.3 3.0 6.1
220 5 8 0 42.216 84.432 1.14637 19.2 1.4 1.3 6.1
221 3 2 4 42.251 84.502 1.14561 160.0 11.7 10.8 6.1
222 4 3 -5 42.539 85.079 1.13931 48.3 3.5 3.3 6.1
223 3 4 -5 42.645 85.29 1.13702 84.9 6.2 5.7 6.1
224 6 0 2 42.807 85.614 1.13354 48.7 3.6 3.3 6.1
225 0 11 1 43.105 86.211 1.12722 24.6 1.8 1.7 6.1
226 6 6 -3 43.151 86.302 1.12627 26.0 1.9 1.8 6.1
227 5 1 -5 43.202 86.404 1.1252 47.6 3.5 3.2 6.1
228 2 8 3 43.247 86.493 1.12427 28.5 2.1 1.9 6.1
229 6 4 -4 43.332 86.664 1.12249 16.7 1.2 1.1 6.1
230 3 10 -2 43.543 87.085 1.11814 16.8 1.2 1.1 6.1
231 3 7 3 43.725 87.449 1.11442 42.4 3.1 2.9 6.2
232 7 5 -1 43.789 87.578 1.11311 35.4 2.6 2.4 6.2
233 5 6 -4 43.84 87.68 1.11208 47.4 3.5 3.2 6.2
234 1 11 1 44.004 88.009 1.10877 33.4 2.5 2.2 6.2
235 4 9 1 44.052 88.105 1.10781 66.4 4.9 4.5 6.2
236 7 0 1 44.179 88.359 1.10528 14.4 1.1 1.0 6.2
237 1 2 5 44.339 88.679 1.10212 55.5 4.1 3.7 6.2
238 6 7 0 44.41 88.821 1.10073 39.2 2.9 2.6 6.2
239 1 8 -4 44.587 89.174 1.09728 41.5 3.0 2.8 6.2
240 1 7 4 44.658 89.315 1.09591 58.0 4.3 3.9 6.2
241 1 5 -5 44.73 89.46 1.09451 56.1 4.1 3.8 6.2
242 5 9 -1 44.784 89.569 1.09346 58.3 4.3 3.9 6.2
243 4 10 -1 44.834 89.667 1.09252 52.3 3.8 3.5 6.2
244 7 1 -4 44.869 89.738 1.09184 33.3 2.4 2.2 6.2
245 5 3 -5 44.907 89.814 1.09111 23.5 1.7 1.6 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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