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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CHRISTITE
1, syn
AsHgS(3)Tl
Monoclinic P 2(1)/n Z = 4
R =0.044 NR =702
28 .2 .1989
Ref.Str.:
1. K.L.Brown, F.W.Dickson. (1976)
* Z. Kristallogr., 144, 367-376
2. A.S.Radtke, F.W.Dickson, J.F.Slack, K.L.Brown (1977)
* Amer. Mineral., 62, 421-425
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.113 alpha = 90.0
b = 16.188 beta = 96.71
c = 6.111 gamma = 90.0
Unit cell volume (cub. angs.) = 600.59
Molar volume ( cub.cm/mol.) = 90.44
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1633 0.4504 0.3366 0.0 Tl = 1.00
2 0.0793 0.2501 0.9207 0.0 Hg = 1.00
3 0.5759 0.3916 0.9254 0.0 As = 1.00
4 0.2046 0.3917 0.8587 0.0 S = 1.00
5 0.1419 0.2408 0.3559 0.0 S = 1.00
6 0.1421 0.1077 0.7962 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1633 0.4504 0.3366
2 2 0.0793 0.2501 0.9207
3 3 0.5759 0.3916 0.9254
4 4 0.2046 0.3917 0.8587
5 5 0.1419 0.2408 0.3559
6 6 0.1421 0.1077 0.7962
7 1 0.8367 0.5496 0.6634
8 2 0.9207 0.7499 0.0793
9 3 0.4241 0.6084 0.0746
10 4 0.7954 0.6083 0.1413
11 5 0.8581 0.7592 0.6441
12 6 0.8579 0.8923 0.2038
13 1 0.6633 0.0496 0.8366
14 2 0.5793 0.2499 0.4207
15 3 0.0759 0.1084 0.4254
16 4 0.7046 0.1083 0.3587
17 5 0.6419 0.2592 0.8559
18 6 0.6421 0.3923 0.2962
19 1 0.3367 0.9504 0.1634
20 2 0.4207 0.7501 0.5793
21 3 0.9241 0.8916 0.5746
22 4 0.2954 0.8917 0.6413
23 5 0.3581 0.7408 0.1441
24 6 0.3579 0.6077 0.7038
X-ray density (g/cm cub.) = 6.37
MU (1/cm) = 1148.976 Mass attenuation coefficient (cm**2/g) = 180.405
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Tl 4.104 7
3.3103 4
3.1093 4
3.3979 5
3.5199 4
3.1114 6
3.3034 6
3.5088 6
2 Hg 3.528 6
2.4597 4
2.6466 5
3.52 5
2.4719 6
3.5106 5
2.6609 5
3 As 3.012 3
2.2587 4
2.2309 5
2.2548 6
4 S 4.368 6
3.952 5
3.9089 5
3.429 5
4.0521 5
3.5538 6
3.7693 6
5 S 4.368 10
3.9089 4
3.952 4
3.4469 6
4.0425 6
4.0521 4
3.429 4
4.0724 5
4.0724 5
3.9696 6
3.9015 6
6 S 4.368 6
4.0425 5
3.4469 5
3.5538 4
3.9015 5
3.9697 5
3.7693 4
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 5.461 10.922 0.062 217.86 2 61.9 462.5
2 1 1 0 7.788 15.576 0.088 105.97 4 42.9 216.1
3 0 1 1 7.79 15.58 0.088 105.91 4 42.2 209.0
4 1 2 0 9.126 18.251 0.103 76.58 4 95.9 781.6
5 0 2 1 9.128 18.255 0.103 76.55 4 96.3 786.6
6 1 0 -1 9.709 19.419 0.109 67.4 2 165.5 1023.0
7 1 1 -1 10.092 20.184 0.114 62.22 4 102.8 729.2
8 1 0 1 10.933 21.865 0.123 52.7 2 70.5 145.5
9 0 4 0 10.972 21.945 0.124 52.31 2 216.2 1355.6
10 1 3 0 11.01 22.021 0.124 51.93 4 146.0 1228.4
11 0 3 1 11.012 22.024 0.124 51.92 4 147.7 1256.4
12 1 2 -1 11.166 22.331 0.126 50.44 4 84.1 395.8
13 1 1 1 11.276 22.552 0.127 49.42 4 0.6 0.0
14 1 2 1 12.251 24.502 0.138 41.55 4 446.7 9194.9
15 1 3 -1 12.765 25.53 0.143 38.1 4 375.4 5953.5
16 1 4 0 13.223 26.446 0.148 35.37 4 212.9 1778.2
17 0 4 1 13.225 26.449 0.148 35.36 4 215.5 1821.9
18 1 3 1 13.732 27.463 0.154 32.65 4 1.0 0.0
19 2 0 0 14.7 29.399 0.165 28.24 2 18.3 5.3
20 0 0 2 14.705 29.409 0.165 28.22 2 18.9 5.6
21 1 4 -1 14.732 29.464 0.165 28.11 4 302.2 2847.4
22 2 1 0 14.962 29.924 0.168 27.19 4 443.5 5930.8
23 0 1 2 14.967 29.933 0.168 27.18 4 442.8 5909.6
24 1 4 1 15.586 31.173 0.174 24.91 4 143.6 569.9
25 1 5 0 15.642 31.285 0.175 24.72 4 100.3 275.8
26 0 5 1 15.644 31.287 0.175 24.71 4 98.7 267.0
27 2 2 0 15.724 31.449 0.176 24.44 4 228.7 1417.1
28 0 2 2 15.729 31.458 0.176 24.42 4 227.4 1400.2
29 2 1 -1 15.92 31.84 0.178 23.8 4 261.3 1801.2
30 1 1 -2 15.923 31.847 0.178 23.79 4 261.6 1804.6
31 0 6 0 16.589 33.178 0.185 21.77 2 496.0 2970.1
32 2 2 -1 16.643 33.286 0.186 21.62 4 75.1 135.3
33 1 2 -2 16.646 33.292 0.186 21.61 4 74.2 131.9
34 2 3 0 16.927 33.853 0.189 20.84 4 63.1 92.0
35 0 3 2 16.931 33.862 0.189 20.82 4 62.7 90.8
36 1 5 -1 16.955 33.911 0.189 20.76 4 56.3 72.9
37 2 1 1 17.486 34.973 0.195 19.41 4 91.0 178.2
38 1 1 2 17.49 34.979 0.195 19.4 4 89.8 173.5
39 1 5 1 17.714 35.427 0.197 18.87 4 0.6 0.0
40 2 3 -1 17.79 35.58 0.198 18.69 4 151.7 476.9
41 1 3 -2 17.793 35.587 0.198 18.68 4 150.6 469.9
42 2 2 1 18.154 36.309 0.202 17.88 4 54.5 58.8
43 1 2 2 18.157 36.315 0.202 17.87 4 56.5 63.2
44 1 6 0 18.205 36.411 0.203 17.77 4 227.1 1016.6
45 0 6 1 18.206 36.413 0.203 17.77 4 226.3 1009.1
46 2 4 0 18.494 36.988 0.206 17.17 4 80.0 121.8
47 0 4 2 18.498 36.996 0.206 17.16 4 76.7 111.9
48 2 3 1 19.223 38.446 0.214 15.76 4 103.2 186.0
49 1 3 2 19.226 38.452 0.214 15.76 4 101.9 181.4
50 2 4 -1 19.296 38.592 0.215 15.63 4 12.3 2.6
51 1 4 -2 19.299 38.598 0.215 15.62 4 14.0 3.4
52 1 6 -1 19.365 38.731 0.215 15.51 4 114.3 224.6
53 2 0 -2 19.712 39.425 0.219 14.91 2 345.1 984.2
54 2 1 -2 19.916 39.832 0.221 14.57 4 149.4 360.7
55 1 6 1 20.045 40.089 0.222 14.36 4 121.8 236.4
56 2 5 0 20.355 40.711 0.226 13.88 4 428.0 2819.6
57 0 5 2 20.359 40.718 0.226 13.87 4 427.4 2810.1
58 2 2 -2 20.516 41.032 0.227 13.64 4 11.0 1.8
59 2 4 1 20.64 41.28 0.229 13.46 4 180.9 488.3
60 1 4 2 20.643 41.285 0.229 13.45 4 180.3 485.2
61 1 7 0 20.881 41.762 0.231 13.11 4 68.5 68.2
62 0 7 1 20.882 41.764 0.231 13.11 4 67.2 65.7
63 2 5 -1 21.098 42.196 0.234 12.81 4 23.6 7.9
64 1 5 -2 21.101 42.202 0.234 12.81 4 24.1 8.3
65 2 3 -2 21.485 42.971 0.238 12.3 4 351.9 1688.7
66 1 7 -1 21.922 43.844 0.242 11.76 4 331.0 1427.9
67 2 0 2 22.291 44.582 0.246 11.32 2 672.6 2840.4
68 2 5 1 22.352 44.705 0.247 11.25 4 33.8 14.3
69 1 5 2 22.355 44.71 0.247 11.25 4 37.4 17.4
70 0 8 0 22.375 44.75 0.247 11.23 2 199.6 248.0
71 2 6 0 22.456 44.911 0.248 11.14 4 93.7 108.5
72 0 6 2 22.459 44.918 0.248 11.13 4 93.2 107.3
73 2 1 2 22.475 44.95 0.248 11.11 4 0.2 0.0
74 1 7 1 22.538 45.076 0.249 11.04 4 0.0 0.0
75 3 1 0 22.556 45.113 0.249 11.02 4 231.7 656.0
76 0 1 3 22.564 45.128 0.249 11.02 4 234.1 669.5
77 3 0 -1 22.762 45.524 0.251 10.8 2 80.6 38.9
78 1 0 -3 22.769 45.538 0.251 10.79 2 77.7 36.1
79 2 4 -2 22.786 45.573 0.251 10.77 4 122.4 179.1
80 3 1 -1 22.943 45.887 0.253 10.61 4 192.3 435.0
81 1 1 -3 22.95 45.9 0.253 10.6 4 193.2 439.0
82 2 2 2 23.021 46.041 0.254 10.53 4 50.3 29.5
83 3 2 0 23.1 46.201 0.255 10.45 4 126.8 186.3
84 0 2 3 23.108 46.216 0.255 10.44 4 127.4 187.8
85 2 6 -1 23.144 46.288 0.255 10.4 4 68.9 54.7
86 1 6 -2 23.146 46.293 0.255 10.4 4 71.2 58.5
87 3 2 -1 23.481 46.961 0.259 10.07 4 169.8 322.0
88 1 2 -3 23.487 46.974 0.259 10.06 4 169.9 321.9
89 1 8 0 23.657 47.313 0.26 9.9 4 162.0 287.9
90 0 8 1 23.657 47.315 0.26 9.9 4 161.7 286.9
91 2 3 2 23.909 47.817 0.263 9.66 4 2.6 0.1
92 3 3 0 23.986 47.972 0.264 9.59 4 142.2 215.0
93 0 3 3 23.993 47.987 0.264 9.59 4 141.6 213.0
94 2 6 1 24.315 48.629 0.267 9.3 4 231.8 554.2
95 1 6 2 24.317 48.634 0.267 9.3 4 230.8 549.4
96 3 3 -1 24.356 48.711 0.268 9.26 4 210.5 455.0
97 1 3 -3 24.362 48.724 0.268 9.26 4 211.5 459.3
98 2 5 -2 24.379 48.757 0.268 9.24 4 2.8 0.1
99 3 0 1 24.523 49.046 0.269 9.12 2 156.8 124.4
100 1 0 3 24.529 49.059 0.269 9.12 2 158.0 126.2
101 1 8 -1 24.605 49.209 0.27 9.05 4 18.6 3.5
102 3 1 1 24.694 49.389 0.271 8.98 4 72.5 52.4
103 1 1 3 24.701 49.402 0.271 8.97 4 74.7 55.5
104 2 7 0 24.754 49.509 0.272 8.93 4 192.4 366.6
105 0 7 2 24.758 49.515 0.272 8.93 4 191.8 364.3
106 2 4 2 25.112 50.223 0.275 8.64 4 207.6 413.0
107 1 8 1 25.169 50.339 0.276 8.6 4 365.1 1270.7
108 3 4 0 25.186 50.373 0.276 8.58 4 36.7 12.8
109 0 4 3 25.193 50.387 0.276 8.58 4 36.0 12.3
110 3 2 1 25.203 50.406 0.276 8.57 4 61.8 36.3
111 1 2 3 25.209 50.419 0.276 8.57 4 64.1 39.0
112 2 7 -1 25.395 50.79 0.278 8.42 4 118.9 132.1
113 1 7 -2 25.397 50.795 0.278 8.42 4 116.6 127.0
114 3 4 -1 25.543 51.086 0.28 8.31 4 20.4 3.8
115 1 4 -3 25.549 51.098 0.28 8.31 4 18.8 3.3
116 3 1 -2 25.769 51.537 0.282 8.15 4 147.8 197.5
117 2 1 -3 25.772 51.545 0.282 8.15 4 148.0 197.8
118 3 3 1 26.035 52.07 0.285 7.96 4 340.8 1025.3
119 1 3 3 26.041 52.082 0.285 7.96 4 339.1 1014.7
120 2 6 -2 26.226 52.451 0.287 7.83 4 195.9 333.2
121 3 2 -2 26.262 52.524 0.287 7.8 4 168.3 245.1
122 2 2 -3 26.266 52.532 0.287 7.8 4 169.2 247.5
123 2 7 1 26.491 52.982 0.29 7.65 4 60.4 30.9
124 1 7 2 26.493 52.987 0.29 7.65 4 62.2 32.8
125 1 9 0 26.529 53.058 0.29 7.63 4 212.3 381.2
126 0 9 1 26.53 53.059 0.29 7.63 4 215.4 392.2
127 2 5 2 26.599 53.199 0.291 7.58 4 2.3 0.0
128 3 5 0 26.671 53.342 0.291 7.53 4 13.6 1.5
129 0 5 3 26.678 53.356 0.291 7.53 4 16.6 2.3
130 3 5 -1 27.014 54.027 0.295 7.32 4 442.3 1587.4
131 1 5 -3 27.02 54.039 0.295 7.31 4 443.2 1593.0
132 3 3 -2 27.071 54.142 0.295 7.28 4 19.9 3.2
133 2 3 -3 27.075 54.149 0.295 7.28 4 19.9 3.2
134 3 4 1 27.169 54.338 0.296 7.22 4 235.0 442.3
135 1 4 3 27.175 54.35 0.296 7.22 4 238.1 454.0
136 2 8 0 27.225 54.451 0.297 7.19 4 204.3 332.8
137 0 8 2 27.228 54.457 0.297 7.19 4 205.3 335.9
138 1 9 -1 27.404 54.808 0.299 7.08 4 88.2 61.1
139 2 8 -1 27.825 55.65 0.303 6.84 4 69.9 37.0
140 1 8 -2 27.827 55.655 0.303 6.84 4 66.4 33.5
141 1 9 1 27.928 55.857 0.304 6.78 4 1.0 0.0
142 3 4 -2 28.176 56.352 0.307 6.65 4 221.8 362.7
143 2 4 -3 28.18 56.36 0.307 6.65 4 221.8 362.8
144 2 7 -2 28.297 56.594 0.308 6.59 4 346.7 877.9
145 2 6 2 28.343 56.686 0.308 6.56 4 400.8 1169.1
146 3 6 0 28.412 56.823 0.309 6.53 4 110.6 88.5
147 0 10 0 28.414 56.827 0.309 6.52 2 332.5 400.0
148 0 6 3 28.418 56.836 0.309 6.52 4 108.2 84.7
149 3 5 1 28.582 57.164 0.311 6.44 4 40.2 11.6
150 1 5 3 28.588 57.175 0.311 6.44 4 40.6 11.8
151 3 6 -1 28.74 57.481 0.312 6.36 4 19.0 2.5
152 1 6 -3 28.746 57.492 0.312 6.36 4 20.1 2.9
153 2 8 1 28.857 57.715 0.313 6.3 4 170.3 202.7
154 1 8 2 28.859 57.719 0.313 6.3 4 169.6 201.0
155 3 1 2 28.94 57.88 0.314 6.26 4 7.1 0.4
156 2 1 3 28.944 57.887 0.314 6.26 4 5.7 0.2
157 3 2 2 29.397 58.794 0.319 6.04 4 94.1 59.4
158 2 2 3 29.401 58.801 0.319 6.04 4 98.1 64.5
159 1 10 0 29.502 59.005 0.32 5.99 4 25.4 4.3
160 0 10 1 29.503 59.006 0.32 5.99 4 29.0 5.6
161 3 5 -2 29.557 59.114 0.32 5.97 4 65.8 28.7
162 2 5 -3 29.561 59.121 0.32 5.97 4 64.4 27.4
163 2 9 0 29.853 59.707 0.323 5.84 4 254.1 418.0
164 0 9 2 29.856 59.713 0.323 5.84 4 254.5 419.0
165 3 3 2 30.15 60.299 0.326 5.71 4 128.0 103.7
166 2 3 3 30.153 60.306 0.326 5.71 4 128.8 105.0
167 3 6 1 30.25 60.5 0.327 5.67 4 107.0 71.9
168 1 6 3 30.255 60.511 0.327 5.67 4 107.4 72.4
169 2 7 2 30.318 60.636 0.328 5.64 4 1.2 0.0
170 1 10 -1 30.321 60.641 0.328 5.64 4 300.9 566.2
171 3 7 0 30.384 60.767 0.328 5.61 4 110.0 75.4
172 0 7 3 30.39 60.78 0.328 5.61 4 111.4 77.2
173 3 0 -3 30.394 60.789 0.328 5.61 2 298.3 276.7
174 2 9 -1 30.42 60.839 0.329 5.6 4 206.2 264.0
175 1 9 -2 30.422 60.844 0.329 5.6 4 205.6 262.3
176 4 0 0 30.498 60.995 0.329 5.57 2 288.6 257.0
177 0 0 4 30.509 61.017 0.33 5.56 2 285.6 251.5
178 3 1 -3 30.543 61.085 0.33 5.55 4 63.2 24.5
179 2 8 -2 30.571 61.142 0.33 5.54 4 52.1 16.7
180 4 1 0 30.646 61.292 0.331 5.51 4 144.1 126.7
181 0 1 4 30.657 61.314 0.331 5.5 4 143.0 124.8
182 3 7 -1 30.699 61.398 0.331 5.48 4 78.0 37.0
183 1 7 -3 30.705 61.409 0.331 5.48 4 77.5 36.5
184 4 1 -1 30.715 61.43 0.332 5.48 4 107.5 70.2
185 1 1 -4 30.725 61.45 0.332 5.47 4 106.0 68.2
186 1 10 1 30.813 61.626 0.333 5.44 4 19.7 2.3
187 3 2 -3 30.985 61.971 0.334 5.37 4 89.0 47.2
188 4 2 0 31.088 62.175 0.335 5.33 4 9.6 0.5
189 0 2 4 31.099 62.197 0.335 5.33 4 9.8 0.6
190 4 2 -1 31.156 62.312 0.336 5.31 4 192.2 217.6
191 1 2 -4 31.166 62.333 0.336 5.3 4 192.7 218.5
192 3 4 2 31.185 62.369 0.336 5.3 4 174.6 179.1
193 2 4 3 31.188 62.376 0.336 5.3 4 178.2 186.4
194 3 6 -2 31.193 62.386 0.336 5.29 4 135.0 106.9
195 2 6 -3 31.196 62.393 0.336 5.29 4 136.4 109.2
196 2 9 1 31.398 62.796 0.338 5.22 4 154.8 138.8
197 1 9 2 31.4 62.8 0.338 5.22 4 152.2 134.1
198 3 3 -3 31.715 63.431 0.341 5.1 4 44.5 11.2
199 4 3 0 31.816 63.633 0.342 5.07 4 289.8 472.1
200 0 3 4 31.827 63.654 0.342 5.07 4 287.3 463.6
201 4 3 -1 31.884 63.768 0.343 5.05 4 35.9 7.2
202 1 3 -4 31.894 63.788 0.343 5.04 4 37.6 7.9
203 3 7 1 32.153 64.306 0.345 4.95 4 270.8 402.9
204 1 7 3 32.158 64.317 0.345 4.95 4 273.1 409.5
205 3 5 2 32.487 64.975 0.349 4.84 4 114.7 70.7
206 2 5 3 32.491 64.982 0.349 4.84 4 114.4 70.4
207 2 8 2 32.506 65.012 0.349 4.84 4 157.2 132.6
208 3 8 0 32.569 65.138 0.349 4.82 4 102.0 55.6
209 0 8 3 32.575 65.15 0.349 4.82 4 103.9 57.6
210 1 11 0 32.587 65.173 0.35 4.81 4 123.9 81.9
211 0 11 1 32.587 65.175 0.35 4.81 4 119.6 76.4
212 2 10 0 32.634 65.267 0.35 4.8 4 0.5 0.0
213 0 10 2 32.636 65.273 0.35 4.8 4 1.6 0.0
214 4 1 1 32.645 65.29 0.35 4.79 4 212.3 239.7
215 1 1 4 32.655 65.31 0.35 4.79 4 213.6 242.3
216 4 0 -2 32.702 65.404 0.351 4.78 2 11.1 0.3
217 2 0 -4 32.71 65.42 0.351 4.77 2 12.5 0.4
218 3 4 -3 32.722 65.444 0.351 4.77 4 424.0 951.1
219 4 4 0 32.821 65.643 0.352 4.74 4 113.8 68.1
220 0 4 4 32.832 65.664 0.352 4.74 4 114.0 68.3
221 4 1 -2 32.844 65.689 0.352 4.73 4 20.4 2.2
222 2 1 -4 32.852 65.705 0.352 4.73 4 21.4 2.4
223 3 8 -1 32.873 65.745 0.352 4.72 4 149.0 116.3
224 1 8 -3 32.878 65.756 0.352 4.72 4 151.0 119.4
225 4 4 -1 32.888 65.775 0.352 4.72 4 222.6 259.4
226 1 4 -4 32.898 65.795 0.353 4.72 4 223.1 260.3
227 2 9 -2 33.034 66.067 0.354 4.67 4 117.5 71.6
228 3 7 -2 33.065 66.131 0.354 4.66 4 46.9 11.4
229 2 7 -3 33.069 66.138 0.354 4.66 4 49.8 12.8
230 4 2 1 33.072 66.144 0.354 4.66 4 16.3 1.4
231 1 2 4 33.082 66.163 0.354 4.66 4 15.2 1.2
232 2 10 -1 33.173 66.346 0.355 4.63 4 43.0 9.5
233 1 10 -2 33.175 66.349 0.355 4.63 4 39.6 8.1
234 4 2 -2 33.27 66.54 0.356 4.6 4 347.1 615.3
235 2 2 -4 33.278 66.556 0.356 4.6 4 346.5 612.6
236 1 11 -1 33.361 66.723 0.357 4.58 4 100.6 51.4
237 4 3 1 33.777 67.555 0.361 4.46 4 120.2 71.5
238 1 3 4 33.787 67.574 0.361 4.46 4 119.3 70.3
239 1 11 1 33.829 67.658 0.361 4.45 4 0.5 0.0
240 4 3 -2 33.973 67.947 0.363 4.41 4 9.1 0.4
241 2 3 -4 33.981 67.962 0.363 4.4 4 9.4 0.4
242 3 5 -3 33.993 67.986 0.363 4.4 4 84.4 34.8
243 3 6 2 34.043 68.087 0.363 4.39 4 169.9 140.4
244 2 6 3 34.047 68.093 0.363 4.39 4 165.9 133.8
245 4 5 0 34.091 68.181 0.364 4.37 4 5.9 0.2
246 0 5 4 34.101 68.202 0.364 4.37 4 8.4 0.3
247 2 10 1 34.108 68.216 0.364 4.37 4 38.7 7.3
248 1 10 2 34.11 68.219 0.364 4.37 4 35.3 6.0
249 4 5 -1 34.156 68.312 0.364 4.36 4 23.6 2.7
250 1 5 -4 34.166 68.331 0.365 4.35 4 23.5 2.7
251 3 8 1 34.277 68.553 0.366 4.33 4 8.9 0.4
252 1 8 3 34.282 68.564 0.366 4.32 4 7.6 0.3
253 3 0 3 34.678 69.356 0.369 4.22 2 90.0 19.0
254 4 4 1 34.753 69.506 0.37 4.2 4 8.4 0.3
255 1 4 4 34.763 69.526 0.37 4.2 4 6.3 0.2
256 3 1 3 34.816 69.633 0.371 4.19 4 0.7 0.0
257 0 12 0 34.82 69.64 0.371 4.19 2 14.3 0.5
258 2 9 2 34.895 69.79 0.371 4.17 4 0.4 0.0
259 4 4 -2 34.947 69.893 0.372 4.16 4 100.7 46.8
260 2 4 -4 34.954 69.909 0.372 4.16 4 100.5 46.5
261 3 9 0 34.956 69.913 0.372 4.16 4 201.5 187.2
262 0 9 3 34.962 69.925 0.372 4.15 4 199.5 183.4
263 3 8 -2 35.161 70.323 0.374 4.11 4 94.7 40.8
264 2 8 -3 35.165 70.329 0.374 4.11 4 91.8 38.3
265 3 2 3 35.23 70.461 0.374 4.09 4 342.9 533.2
266 3 9 -1 35.25 70.5 0.375 4.09 4 271.7 334.4
267 1 9 -3 35.255 70.51 0.375 4.08 4 272.8 337.0
268 3 6 -3 35.517 71.034 0.377 4.02 4 194.1 168.2
269 2 11 0 35.569 71.138 0.378 4.01 4 138.6 85.5
270 0 11 2 35.572 71.143 0.378 4.01 4 138.6 85.4
271 4 6 0 35.612 71.225 0.378 4.0 4 170.1 128.5
272 0 6 4 35.623 71.245 0.378 4.0 4 167.5 124.5
273 4 6 -1 35.676 71.352 0.379 3.99 4 103.3 47.2
274 2 10 -2 35.68 71.36 0.379 3.99 4 180.4 144.0
275 1 6 -4 35.686 71.371 0.379 3.99 4 100.5 44.7
276 1 12 0 35.798 71.596 0.38 3.96 4 110.1 53.2
277 0 12 1 35.798 71.597 0.38 3.96 4 106.7 50.0
278 3 7 2 35.84 71.679 0.38 3.95 4 58.1 14.8
279 2 7 3 35.843 71.686 0.38 3.95 4 57.0 14.3
280 3 3 3 35.916 71.832 0.381 3.94 4 2.6 0.0
281 4 5 1 35.99 71.98 0.381 3.92 4 22.9 2.3
282 1 5 4 35.999 71.999 0.382 3.92 4 24.8 2.7
283 2 11 -1 36.087 72.174 0.382 3.9 4 169.4 124.2
284 1 11 -2 36.089 72.178 0.382 3.9 4 171.4 127.0
285 4 5 -2 36.181 72.361 0.383 3.88 4 30.3 4.0
286 2 5 -4 36.188 72.376 0.383 3.88 4 29.2 3.7
287 4 0 2 36.397 72.794 0.385 3.84 2 36.9 2.9
288 2 0 4 36.405 72.809 0.385 3.84 2 37.2 2.9
289 4 1 2 36.533 73.065 0.386 3.81 4 305.6 394.7
290 1 12 -1 36.54 73.08 0.386 3.81 4 60.9 15.7
291 2 1 4 36.54 73.081 0.386 3.81 4 303.9 390.0
292 3 9 1 36.611 73.223 0.387 3.79 4 80.8 27.5
293 1 9 3 36.616 73.233 0.387 3.79 4 81.8 28.1
294 4 1 -3 36.848 73.697 0.389 3.75 4 184.5 141.5
295 3 1 -4 36.853 73.706 0.389 3.75 4 184.1 140.9
296 3 4 3 36.867 73.733 0.389 3.75 4 146.9 89.7
297 4 2 2 36.939 73.877 0.39 3.73 4 169.5 118.8
298 2 2 4 36.946 73.892 0.39 3.73 4 166.9 115.3
299 2 11 1 36.989 73.977 0.391 3.72 4 96.0 38.1
300 1 12 1 36.99 73.98 0.391 3.72 4 341.8 482.3
301 1 11 2 36.99 73.981 0.391 3.72 4 100.8 42.0
302 4 2 -3 37.253 74.506 0.393 3.67 4 100.8 41.4
303 3 2 -4 37.257 74.515 0.393 3.67 4 100.0 40.7
304 3 7 -3 37.283 74.565 0.393 3.67 4 25.8 2.7
305 4 7 0 37.376 74.752 0.394 3.65 4 326.6 431.8
306 0 7 4 37.386 74.772 0.394 3.65 4 326.4 431.1
307 4 7 -1 37.439 74.878 0.395 3.64 4 48.8 9.6
308 1 7 -4 37.448 74.897 0.395 3.64 4 45.8 8.5
309 3 9 -2 37.473 74.945 0.395 3.63 4 10.6 0.5
310 2 9 -3 37.476 74.952 0.395 3.63 4 9.3 0.4
311 4 6 1 37.479 74.957 0.395 3.63 4 23.0 2.1
312 2 10 2 37.482 74.965 0.395 3.63 4 314.8 399.3
313 1 6 4 37.488 74.976 0.395 3.63 4 24.6 2.4
314 3 10 0 37.542 75.084 0.396 3.62 4 61.5 15.2
315 0 10 3 37.547 75.095 0.396 3.62 4 63.7 16.3
316 4 3 2 37.612 75.223 0.396 3.61 4 19.9 1.6
317 2 3 4 37.619 75.238 0.396 3.61 4 18.5 1.4
318 4 6 -2 37.666 75.333 0.397 3.6 4 122.0 59.5
319 2 6 -4 37.674 75.348 0.397 3.6 4 121.2 58.6
320 3 10 -1 37.827 75.654 0.398 3.57 4 56.2 12.5
321 1 10 -3 37.832 75.664 0.398 3.57 4 56.8 12.8
322 3 8 2 37.867 75.735 0.398 3.57 4 120.4 57.3
323 2 8 3 37.871 75.741 0.398 3.57 4 118.8 55.8
324 4 3 -3 37.924 75.848 0.399 3.56 4 38.8 5.9
325 3 3 -4 37.928 75.857 0.399 3.56 4 39.5 6.1
326 3 5 3 38.076 76.151 0.4 3.53 4 1.5 0.0
327 2 11 -2 38.512 77.025 0.404 3.46 4 109.0 45.6
328 4 4 2 38.547 77.094 0.404 3.46 4 44.8 7.7
329 2 4 4 38.554 77.109 0.405 3.46 4 38.5 5.7
330 2 12 0 38.671 77.342 0.406 3.44 4 170.8 111.2
331 0 12 2 38.673 77.347 0.406 3.44 4 168.9 108.8
332 4 4 -3 38.857 77.714 0.407 3.41 4 149.2 84.2
333 3 4 -4 38.861 77.723 0.407 3.41 4 148.7 83.6
334 3 10 1 39.155 78.31 0.41 3.37 4 258.5 249.5
335 1 13 0 39.158 78.316 0.41 3.37 4 10.0 0.4
336 0 13 1 39.159 78.317 0.41 3.37 4 12.2 0.6
337 1 10 3 39.16 78.32 0.41 3.37 4 262.1 256.5
338 2 12 -1 39.174 78.348 0.41 3.36 4 53.2 10.6
339 1 12 -2 39.176 78.351 0.41 3.36 4 57.0 12.1
340 4 7 1 39.212 78.424 0.41 3.36 4 99.8 37.1
341 5 0 -1 39.216 78.432 0.41 3.36 2 286.3 152.7
342 1 7 4 39.221 78.442 0.41 3.36 4 98.2 35.9
343 1 0 -5 39.231 78.461 0.411 3.36 2 288.2 154.6
344 3 8 -3 39.284 78.567 0.411 3.35 4 35.4 4.6
345 5 1 -1 39.348 78.696 0.412 3.34 4 56.1 11.6
346 1 1 -5 39.363 78.726 0.412 3.34 4 52.6 10.3
347 4 8 0 39.376 78.752 0.412 3.34 4 42.5 6.7
348 0 8 4 39.386 78.771 0.412 3.34 4 42.1 6.6
349 4 7 -2 39.397 78.794 0.412 3.33 4 61.2 13.8
350 2 7 -4 39.404 78.809 0.412 3.33 4 62.1 14.2
351 4 8 -1 39.437 78.875 0.412 3.33 4 64.1 15.1
352 1 8 -4 39.447 78.893 0.412 3.33 4 65.8 16.0
353 5 1 0 39.506 79.012 0.413 3.32 4 147.8 80.4
354 0 1 5 39.522 79.043 0.413 3.32 4 147.5 80.1
355 3 6 3 39.537 79.074 0.413 3.31 4 74.7 20.5
356 4 5 2 39.739 79.479 0.415 3.29 4 341.0 424.0
357 5 2 -1 39.744 79.489 0.415 3.29 4 75.5 20.8
358 2 5 4 39.747 79.494 0.415 3.29 4 339.9 421.1
359 1 2 -5 39.759 79.518 0.415 3.29 4 76.6 21.4
360 1 13 -1 39.879 79.757 0.416 3.27 4 269.6 263.5
361 5 2 0 39.902 79.804 0.416 3.27 4 113.2 46.5
362 0 2 5 39.917 79.835 0.417 3.27 4 116.4 49.1
363 3 10 -2 39.998 79.997 0.417 3.25 4 8.7 0.3
364 2 10 -3 40.002 80.003 0.417 3.25 4 9.2 0.3
365 4 5 -3 40.047 80.094 0.418 3.25 4 88.2 28.0
366 3 5 -4 40.051 80.102 0.418 3.25 4 89.7 29.0
367 2 12 1 40.052 80.104 0.418 3.25 4 123.9 55.3
368 1 12 2 40.054 80.107 0.418 3.25 4 124.8 56.1
369 3 9 2 40.123 80.245 0.418 3.24 4 213.8 164.3
370 2 9 3 40.126 80.252 0.418 3.24 4 215.8 167.2
371 2 11 2 40.271 80.542 0.42 3.22 4 2.7 0.0
372 1 13 1 40.316 80.632 0.42 3.22 4 0.4 0.0
373 3 11 0 40.329 80.659 0.42 3.21 4 165.8 98.0
374 0 11 3 40.335 80.67 0.42 3.21 4 162.9 94.6
375 5 3 -1 40.403 80.806 0.421 3.21 4 42.8 6.5
376 1 3 -5 40.418 80.835 0.421 3.2 4 44.7 7.1
377 5 3 0 40.56 81.12 0.422 3.19 4 3.3 0.0
378 0 3 5 40.575 81.15 0.422 3.19 4 4.1 0.1
379 3 11 -1 40.609 81.218 0.423 3.18 4 342.5 413.8
380 1 11 -3 40.614 81.228 0.423 3.18 4 343.1 415.4
381 5 1 -2 41.063 82.126 0.426 3.13 4 138.9 67.0
382 2 1 -5 41.076 82.152 0.427 3.13 4 139.2 67.3
383 4 6 2 41.185 82.369 0.427 3.12 4 85.9 25.5
384 4 8 1 41.186 82.372 0.427 3.12 4 28.3 2.8
385 2 6 4 41.192 82.384 0.427 3.12 4 84.5 24.7
386 1 8 4 41.195 82.39 0.428 3.12 4 24.1 2.0
387 3 7 3 41.246 82.491 0.428 3.11 4 0.5 0.0
388 5 4 -1 41.321 82.641 0.429 3.1 4 365.8 460.7
389 1 4 -5 41.335 82.67 0.429 3.1 4 366.7 462.8
390 4 8 -2 41.369 82.738 0.429 3.1 4 325.7 364.7
391 2 8 -4 41.376 82.752 0.429 3.1 4 324.7 362.2
392 5 0 1 41.402 82.803 0.429 3.1 2 77.1 10.2
393 1 0 5 41.416 82.832 0.429 3.09 2 71.4 8.7
394 5 2 -2 41.456 82.911 0.43 3.09 4 107.5 39.6
395 2 2 -5 41.468 82.937 0.43 3.09 4 106.4 38.8
396 5 4 0 41.477 82.954 0.43 3.09 4 176.8 107.1
397 4 6 -3 41.49 82.979 0.43 3.09 4 135.3 62.6
398 0 4 5 41.492 82.984 0.43 3.09 4 177.6 107.9
399 3 6 -4 41.494 82.988 0.43 3.09 4 134.3 61.7
400 3 9 -3 41.518 83.036 0.43 3.08 4 58.1 11.6
401 5 1 1 41.532 83.065 0.43 3.08 4 173.5 103.0
402 2 12 -2 41.543 83.086 0.43 3.08 4 4.6 0.1
403 1 1 5 41.547 83.094 0.431 3.08 4 175.5 105.3
404 4 9 0 41.609 83.219 0.431 3.08 4 103.9 36.8
405 0 9 4 41.619 83.238 0.431 3.07 4 102.8 36.1
406 4 9 -1 41.67 83.34 0.432 3.07 4 42.9 6.3
407 1 9 -4 41.679 83.359 0.432 3.07 4 47.4 7.6
408 0 14 0 41.772 83.544 0.432 3.06 2 406.2 279.9
409 3 11 1 41.914 83.828 0.434 3.05 4 104.3 36.7
410 1 11 3 41.919 83.837 0.434 3.05 4 102.5 35.5
411 5 2 1 41.924 83.848 0.434 3.05 4 137.9 64.2
412 1 2 5 41.939 83.877 0.434 3.04 4 138.1 64.4
413 2 13 0 41.96 83.919 0.434 3.04 4 104.9 37.1
414 0 13 2 41.962 83.924 0.434 3.04 4 104.1 36.6
415 5 3 -2 42.108 84.217 0.435 3.03 4 58.8 11.6
416 2 3 -5 42.121 84.242 0.435 3.03 4 57.7 11.2
417 4 1 3 42.128 84.255 0.435 3.03 4 86.6 25.2
418 3 1 4 42.132 84.264 0.435 3.03 4 84.1 23.7
419 4 0 -4 42.423 84.846 0.438 3.0 2 272.2 123.3
420 2 13 -1 42.454 84.908 0.438 3.0 4 143.2 68.2
421 1 13 -2 42.456 84.911 0.438 3.0 4 145.8 70.7
422 5 5 -1 42.495 84.99 0.438 2.99 4 77.7 20.0
423 1 5 -5 42.51 85.019 0.439 2.99 4 77.8 20.1
424 4 2 3 42.519 85.037 0.439 2.99 4 30.3 3.1
425 3 2 4 42.523 85.046 0.439 2.99 4 32.3 3.5
426 4 1 -4 42.553 85.106 0.439 2.99 4 59.3 11.7
427 5 3 1 42.576 85.151 0.439 2.99 4 135.9 61.2
428 1 3 5 42.59 85.18 0.439 2.99 4 138.7 63.7
429 3 10 2 42.608 85.217 0.439 2.99 4 13.3 0.6
430 2 10 3 42.611 85.223 0.439 2.98 4 14.6 0.7
431 5 5 0 42.651 85.301 0.44 2.98 4 84.4 23.6
432 0 5 5 42.666 85.332 0.44 2.98 4 82.8 22.7
433 1 14 0 42.699 85.397 0.44 2.98 4 165.5 90.4
434 0 14 1 42.699 85.398 0.44 2.98 4 164.9 89.8
435 3 11 -2 42.746 85.492 0.441 2.97 4 55.4 10.1
436 2 11 -3 42.749 85.498 0.441 2.97 4 56.4 10.5
437 4 7 2 42.88 85.761 0.442 2.96 4 124.2 50.7
438 2 7 4 42.888 85.776 0.442 2.96 4 122.3 49.1
439 4 2 -4 42.943 85.887 0.442 2.96 4 28.1 2.6
440 5 4 -2 43.02 86.04 0.443 2.95 4 146.9 70.6
441 2 4 -5 43.033 86.065 0.443 2.95 4 147.2 70.9
442 4 3 3 43.169 86.338 0.444 2.94 4 64.8 13.7
443 3 3 4 43.173 86.347 0.444 2.94 4 64.4 13.5
444 4 7 -3 43.184 86.367 0.444 2.94 4 51.0 8.5
445 3 7 -4 43.188 86.376 0.444 2.94 4 48.5 7.7
446 3 8 3 43.201 86.402 0.444 2.94 4 272.2 241.5
447 2 12 2 43.275 86.551 0.445 2.93 4 18.6 1.1
448 2 13 1 43.319 86.637 0.445 2.93 4 47.6 7.4
449 1 13 2 43.32 86.641 0.445 2.93 4 43.1 6.0
450 3 12 0 43.333 86.666 0.445 2.93 4 98.1 31.2
451 0 12 3 43.338 86.677 0.445 2.93 4 94.9 29.3
452 4 9 1 43.402 86.803 0.446 2.92 4 173.1 97.2
453 1 14 -1 43.408 86.815 0.446 2.92 4 57.6 10.7
454 1 9 4 43.411 86.822 0.446 2.92 4 172.1 96.0
455 5 4 1 43.486 86.972 0.447 2.92 4 27.3 2.4
456 1 4 5 43.5 87.001 0.447 2.92 4 24.7 2.0
457 4 9 -2 43.583 87.167 0.448 2.91 4 6.5 0.1
458 2 9 -4 43.591 87.181 0.448 2.91 4 6.8 0.1
459 4 3 -4 43.593 87.187 0.448 2.91 4 252.1 205.2
460 3 12 -1 43.609 87.219 0.448 2.91 4 142.1 65.2
461 1 12 -3 43.614 87.228 0.448 2.91 4 140.8 64.0
462 1 14 1 43.839 87.679 0.45 2.89 4 85.5 23.5
463 5 6 -1 43.925 87.85 0.45 2.89 4 186.8 111.8
464 1 6 -5 43.939 87.879 0.45 2.89 4 188.5 113.8
465 3 10 -3 43.991 87.983 0.451 2.88 4 488.9 764.7
466 4 4 3 44.078 88.157 0.452 2.88 4 130.3 54.2
467 5 6 0 44.08 88.16 0.452 2.88 4 139.5 62.1
468 4 10 0 44.082 88.164 0.452 2.88 4 169.9 92.2
469 3 4 4 44.083 88.165 0.452 2.88 4 131.1 54.9
470 0 10 4 44.092 88.183 0.452 2.88 4 170.7 93.1
471 0 6 5 44.095 88.19 0.452 2.88 4 138.1 60.8
472 4 10 -1 44.142 88.285 0.452 2.88 4 23.1 1.7
473 1 10 -4 44.151 88.303 0.452 2.88 4 22.8 1.7
474 5 5 -2 44.189 88.378 0.452 2.87 4 41.3 5.4
475 2 5 -5 44.202 88.403 0.453 2.87 4 40.3 5.2
476 5 0 -3 44.482 88.965 0.455 2.86 2 63.2 6.3
477 3 0 -5 44.492 88.984 0.455 2.86 2 61.3 5.9
478 4 4 -4 44.502 89.004 0.455 2.85 4 29.4 2.7
479 5 1 -3 44.612 89.224 0.456 2.85 4 161.6 82.5
480 3 1 -5 44.622 89.243 0.456 2.85 4 162.4 83.3
481 5 5 1 44.654 89.308 0.456 2.85 4 349.3 385.1
482 1 5 5 44.669 89.337 0.456 2.85 4 351.7 390.3
483 2 13 -2 44.795 89.589 0.457 2.84 4 275.6 239.1
484 4 8 2 44.828 89.657 0.458 2.84 4 176.6 98.1
485 2 8 4 44.836 89.671 0.458 2.84 4 178.1 99.8
486 3 12 1 44.904 89.807 0.458 2.83 4 52.6 8.7
487 1 12 3 44.908 89.817 0.458 2.83 4 52.4 8.6
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 2 0 5.461 10.922 8.094 462.5 3.9 4.0 5.6
2 1 1 0 7.788 15.576 5.6845 425.1 3.6 3.6 5.6
3 0 2 1 9.128 18.255 4.8557 1568.1 13.2 13.4 5.6
4 1 0 -1 9.709 19.419 4.56735 1023.0 8.6 8.7 5.6
5 1 1 -1 10.092 20.184 4.39574 729.2 6.2 6.2 5.6
6 1 0 1 10.933 21.865 4.0615 145.5 1.2 1.2 5.6
7 0 4 0 10.972 21.945 4.047 1355.6 11.4 11.5 5.6
8 0 3 1 11.012 22.024 4.03262 2484.8 21.0 21.1 5.6
9 1 2 -1 11.166 22.331 3.97775 395.8 3.3 3.4 5.6
10 1 2 1 12.251 24.502 3.63011 9194.9 77.7 78.0 5.6
11 1 3 -1 12.765 25.53 3.48617 5953.5 50.3 50.5 5.6
12 0 4 1 13.225 26.449 3.36707 3600.1 30.4 30.5 5.6
13 1 4 -1 14.732 29.464 3.029 2858.3 24.1 24.1 5.6
14 2 1 0 14.962 29.924 2.98356 11840.3 100.0 100.0 5.6
15 1 4 1 15.586 31.173 2.86678 569.9 4.8 4.8 5.6
16 1 5 0 15.642 31.285 2.85677 542.8 4.6 4.6 5.6
17 2 2 0 15.724 31.449 2.84225 2817.3 23.8 23.8 5.6
18 1 1 -2 15.923 31.847 2.80766 3605.8 30.5 30.4 5.6
19 0 6 0 16.589 33.178 2.698 2970.1 25.1 25.0 5.6
20 2 2 -1 16.643 33.286 2.68946 267.3 2.3 2.3 5.6
21 2 3 0 16.927 33.853 2.64566 182.8 1.5 1.5 5.7
22 2 1 1 17.486 34.973 2.5635 351.8 3.0 3.0 5.7
23 2 3 -1 17.79 35.58 2.52111 946.8 8.0 8.0 5.7
24 1 2 2 18.157 36.315 2.47179 122.0 1.0 1.0 5.7
25 1 6 0 18.205 36.411 2.4655 2025.7 17.1 17.0 5.7
26 2 4 0 18.494 36.988 2.42836 233.7 2.0 2.0 5.7
27 2 3 1 19.223 38.446 2.33954 367.4 3.1 3.1 5.7
28 1 6 -1 19.365 38.731 2.32298 224.6 1.9 1.9 5.7
29 2 0 -2 19.712 39.425 2.28368 984.2 8.3 8.2 5.7
30 2 1 -2 19.916 39.832 2.26129 360.7 3.0 3.0 5.7
31 1 6 1 20.045 40.089 2.24734 236.4 2.0 2.0 5.7
32 2 5 0 20.355 40.711 2.21445 5629.7 47.5 47.1 5.7
33 2 4 1 20.64 41.28 2.18524 973.5 8.2 8.1 5.7
34 1 7 0 20.881 41.762 2.1611 133.9 1.1 1.1 5.7
35 2 3 -2 21.485 42.971 2.10309 1688.7 14.3 14.1 5.7
36 1 7 -1 21.922 43.844 2.06318 1427.9 12.1 11.9 5.7
37 2 0 2 22.291 44.582 2.03075 2840.4 24.0 23.7 5.7
38 0 8 0 22.375 44.75 2.0235 279.7 2.4 2.3 5.7
39 2 6 0 22.456 44.911 2.0166 215.7 1.8 1.8 5.7
40 0 1 3 22.564 45.128 2.00743 1325.5 11.2 11.0 5.7
41 2 4 -2 22.786 45.573 1.98887 254.2 2.1 2.1 5.7
42 1 1 -3 22.95 45.9 1.97543 874.1 7.4 7.3 5.7
43 0 2 3 23.108 46.216 1.96267 374.1 3.2 3.1 5.7
44 3 2 -1 23.481 46.961 1.93325 643.9 5.4 5.3 5.7
45 1 8 0 23.657 47.313 1.91968 574.8 4.9 4.8 5.7
46 3 3 0 23.986 47.972 1.89483 428.0 3.6 3.6 5.7
47 2 6 1 24.315 48.629 1.87077 1103.5 9.3 9.1 5.7
48 1 3 -3 24.362 48.724 1.86733 914.4 7.7 7.6 5.7
49 1 0 3 24.529 49.059 1.85537 250.6 2.1 2.1 5.7
50 2 7 0 24.754 49.509 1.83956 730.9 6.2 6.1 5.7
51 2 4 2 25.112 50.223 1.81506 413.0 3.5 3.4 5.8
52 1 8 1 25.169 50.339 1.81116 1295.9 10.9 10.7 5.8
53 2 7 -1 25.395 50.79 1.79613 259.1 2.2 2.1 5.8
54 2 1 -3 25.772 51.545 1.77159 395.3 3.3 3.3 5.8
55 3 3 1 26.035 52.07 1.75494 2040.0 17.2 16.8 5.8
56 2 6 -2 26.226 52.451 1.74309 333.2 2.8 2.7 5.8
57 2 2 -3 26.266 52.532 1.74059 492.7 4.2 4.1 5.8
58 0 9 1 26.53 53.059 1.72453 773.4 6.5 6.4 5.8
59 1 5 -3 27.02 54.039 1.69554 3180.4 26.9 26.2 5.8
60 1 4 3 27.175 54.35 1.68658 896.3 7.6 7.4 5.8
61 0 8 2 27.228 54.457 1.68354 668.8 5.6 5.5 5.8
62 2 4 -3 28.18 56.36 1.63112 725.5 6.1 6.0 5.8
63 2 7 -2 28.297 56.594 1.62492 877.9 7.4 7.2 5.8
64 2 6 2 28.343 56.686 1.62251 1169.1 9.9 9.6 5.8
65 0 10 0 28.414 56.827 1.6188 573.1 4.8 4.7 5.8
66 2 8 1 28.857 57.715 1.59601 403.8 3.4 3.3 5.8
67 2 2 3 29.401 58.801 1.56907 123.8 1.0 1.0 5.8
68 0 9 2 29.856 59.713 1.54729 837.1 7.1 6.8 5.8
69 2 3 3 30.153 60.306 1.53347 208.8 1.8 1.7 5.8
70 1 6 3 30.255 60.511 1.52877 144.4 1.2 1.2 5.8
71 1 10 -1 30.321 60.641 1.5258 566.2 4.8 4.6 5.8
72 2 9 -1 30.42 60.839 1.5213 955.6 8.1 7.8 5.8
73 4 0 0 30.498 60.995 1.51778 508.6 4.3 4.1 5.8
74 4 1 0 30.646 61.292 1.51115 251.5 2.1 2.1 5.8
75 1 1 -4 30.725 61.45 1.50764 212.0 1.8 1.7 5.8
76 1 2 -4 31.166 62.333 1.4884 1017.6 8.6 8.3 5.8
77 2 9 1 31.398 62.796 1.47851 272.9 2.3 2.2 5.9
78 4 3 0 31.816 63.633 1.46108 935.7 7.9 7.6 5.9
79 1 7 3 32.158 64.317 1.44718 812.5 6.9 6.6 5.9
80 2 8 2 32.506 65.012 1.43339 273.6 2.3 2.2 5.9
81 0 11 1 32.587 65.175 1.43019 271.6 2.3 2.2 5.9
82 1 1 4 32.655 65.31 1.42756 482.0 4.1 3.9 5.9
83 3 4 -3 32.722 65.444 1.42496 951.1 8.0 7.7 5.9
84 0 4 4 32.832 65.664 1.42072 138.5 1.2 1.1 5.9
85 1 4 -4 32.898 65.795 1.4182 757.7 6.4 6.1 5.9
86 4 2 -2 33.27 66.54 1.40412 1227.9 10.4 9.9 5.9
87 4 3 1 33.777 67.555 1.38548 141.8 1.2 1.1 5.9
88 3 6 2 34.043 68.087 1.37594 274.2 2.3 2.2 5.9
89 0 9 3 34.962 69.925 1.34421 463.9 3.9 3.7 5.9
90 3 2 3 35.23 70.461 1.33528 1204.7 10.2 9.7 5.9
91 3 6 -3 35.517 71.034 1.32592 168.2 1.4 1.3 5.9
92 2 11 0 35.569 71.138 1.32422 170.9 1.4 1.4 5.9
93 4 6 0 35.612 71.225 1.32283 253.0 2.1 2.0 5.9
94 2 10 -2 35.68 71.36 1.32065 235.9 2.0 1.9 5.9
95 1 11 -2 36.089 72.178 1.30768 251.2 2.1 2.0 5.9
96 4 1 2 36.533 73.065 1.29397 800.4 6.8 6.4 6.0
97 4 1 -3 36.848 73.697 1.28444 372.0 3.1 3.0 6.0
98 4 2 2 36.939 73.877 1.28175 234.1 2.0 1.9 6.0
99 1 11 2 36.99 73.981 1.28021 562.3 4.7 4.5 6.0
100 4 7 0 37.376 74.752 1.2689 862.9 7.3 6.9 6.0
101 1 6 4 37.488 74.976 1.26567 403.8 3.4 3.2 6.0
102 2 12 0 38.671 77.342 1.23275 220.0 1.9 1.7 6.0
103 4 4 -3 38.857 77.714 1.22778 167.8 1.4 1.3 6.0
104 1 10 3 39.16 78.32 1.21979 529.6 4.5 4.2 6.0
105 1 0 -5 39.231 78.461 1.21794 380.4 3.2 3.0 6.0
106 5 1 0 39.506 79.012 1.21082 160.5 1.4 1.3 6.0
107 4 5 2 39.739 79.479 1.20489 887.2 7.5 7.0 6.0
108 1 13 -1 39.879 79.757 1.20138 309.9 2.6 2.4 6.0
109 1 12 2 40.054 80.107 1.19701 168.3 1.4 1.3 6.0
110 2 9 3 40.126 80.252 1.19522 331.5 2.8 2.6 6.0
111 3 11 0 40.329 80.659 1.19021 192.6 1.6 1.5 6.1
112 1 11 -3 40.614 81.228 1.1833 829.2 7.0 6.5 6.1
113 2 1 -5 41.076 82.152 1.17232 134.3 1.1 1.1 6.1
114 1 4 -5 41.335 82.67 1.16627 923.5 7.8 7.2 6.1
115 4 8 -2 41.369 82.738 1.16549 726.9 6.1 5.7 6.1
116 0 4 5 41.492 82.984 1.16266 429.4 3.6 3.4 6.1
117 1 1 5 41.547 83.094 1.1614 208.3 1.8 1.6 6.1
118 0 14 0 41.772 83.544 1.15629 279.9 2.4 2.2 6.1
119 1 2 5 41.939 83.877 1.15254 274.5 2.3 2.1 6.1
120 4 0 -4 42.423 84.846 1.14184 123.3 1.0 1.0 6.1
121 1 13 -2 42.456 84.911 1.14112 138.9 1.2 1.1 6.1
122 5 3 1 42.576 85.151 1.13852 137.9 1.2 1.1 6.1
123 1 14 0 42.699 85.397 1.13587 180.3 1.5 1.4 6.1
124 2 4 -5 43.033 86.065 1.12876 141.5 1.2 1.1 6.1
125 3 8 3 43.201 86.402 1.12522 241.5 2.0 1.9 6.1
126 4 9 1 43.402 86.803 1.12104 203.9 1.7 1.6 6.1
127 4 3 -4 43.593 87.187 1.1171 334.3 2.8 2.6 6.2
128 1 6 -5 43.939 87.879 1.11008 225.6 1.9 1.7 6.2
129 3 10 -3 43.991 87.983 1.10903 764.7 6.5 5.9 6.2
130 0 6 5 44.095 88.19 1.10696 417.3 3.5 3.2 6.2
131 3 1 -5 44.622 89.243 1.0966 165.8 1.4 1.3 6.2
132 1 5 5 44.669 89.337 1.09569 775.4 6.5 6.0 6.2
133 2 13 -2 44.795 89.589 1.09327 239.1 2.0 1.8 6.2
134 2 8 4 44.836 89.671 1.09248 197.9 1.7 1.5 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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