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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MARKWELCHITE
1
TlPbSbS(3)
Monoclinic P 2(1)/c Z = 4
R =0.0225 NR =1525
25 .4 .25
Ref.Str.:
Bindi L., Biagioni C., Forster H.-J., Adelmann H.G. (2024)
* Mineral. Mag., 88(4), 594-601, doi.org/10.1180/mgm.2024.43
L: $Tl1.063 Pb0.964 Sb0.775 As0.198 S3.000$
R: Locality - Jas Roux, La Chapelle-en-Valgaudemar, Gap, Hautes-Alpes,
Provence-Alpes-Cote d'Azur, France. IMA2024-001. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.9144 alpha = 90.0
b = 8.4513 beta = 108.72
c = 8.6511 gamma = 90.0
Unit cell volume (cub. angs.) = 617.27
Molar volume ( cub.cm/mol.) = 92.95
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.4163 0.4173 0.784 0.0 Tl = 0.55, Pb = 0.45
2 0.9146 0.295 0.9823 0.0 Pb = 0.55, Tl = 0.45
3 0.7578 0.5511 0.6297 0.0 Sb = 1.00
4 0.713 0.623 0.8803 0.0 S = 1.00
5 0.0212 0.4672 0.6847 0.0 S = 1.00
6 0.6158 0.3039 0.5538 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.4163 0.4173 0.784
2 2 0.9146 0.295 0.9823
3 3 0.7578 0.5511 0.6297
4 4 0.713 0.623 0.8803
5 5 0.0212 0.4672 0.6847
6 6 0.6158 0.3039 0.5538
7 1 0.5837 0.9173 0.716
8 2 0.0854 0.795 0.5177
9 3 0.2422 0.0511 0.8703
10 4 0.287 0.123 0.6197
11 5 0.9788 0.9672 0.8153
12 6 0.3842 0.8039 0.9462
13 1 0.4163 0.0827 0.284
14 2 0.9146 0.205 0.4823
15 3 0.7578 0.9489 0.1297
16 4 0.713 0.877 0.3803
17 5 0.0212 0.0328 0.1847
18 6 0.6158 0.1961 0.0538
19 1 0.5837 0.5827 0.216
20 2 0.0854 0.705 0.0177
21 3 0.2422 0.4489 0.3703
22 4 0.287 0.377 0.1197
23 5 0.9788 0.5328 0.3153
24 6 0.3842 0.6961 0.4462
X-ray density (g/cm cub.) = 6.77
MU (1/cm) = 1455.339 Mass attenuation coefficient (cm**2/g) = 214.919
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Tl ,Pb 4.104 8
3.0488 4
3.3734 5
3.2125 6
2.9128 4
3.6032 6
3.0726 6
3.4683 4
3.6927 6
2 Pb ,Tl 4.104 8
3.2674 4
3.3493 5
3.8081 6
3.2584 5
2.7948 5
3.039 6
3.2218 4
3.4074 5
3 Sb 3.264 3
2.4055 4
2.3502 5
2.4218 6
4 S 4.368 7
3.8897 5
3.7988 6
3.9048 5
3.5109 6
4.1055 6
3.8253 5
4.0012 6
5 S 4.368 6
3.8897 4
3.6905 6
3.9048 4
4.3574 6
3.8253 4
3.1444 5
6 S 4.368 7
3.7988 4
3.6905 5
3.5109 4
4.3574 5
4.1055 4
4.0012 4
3.8577 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 0 0 5.235 10.47 0.059 237.29 2 9.3 10.8
2 1 1 0 7.41 14.819 0.084 117.3 4 6.0 4.5
3 0 1 1 7.524 15.048 0.085 113.7 4 0.0 0.0
4 1 1 -1 8.123 16.245 0.092 97.24 4 37.7 145.3
5 1 1 1 10.137 20.274 0.114 61.65 4 33.2 71.3
6 1 0 -2 10.413 20.825 0.117 58.32 2 217.1 1442.5
7 0 2 0 10.503 21.006 0.118 57.28 2 59.8 107.7
8 2 0 0 10.514 21.028 0.118 57.16 2 104.6 328.1
9 0 0 2 10.838 21.675 0.122 53.67 2 17.1 8.3
10 2 1 -1 11.453 22.906 0.129 47.83 4 328.0 5401.1
11 1 1 -2 11.678 23.357 0.131 45.93 4 197.3 1877.3
12 1 2 0 11.762 23.524 0.132 45.25 4 238.6 2704.9
13 2 1 0 11.769 23.538 0.132 45.19 4 314.5 4691.7
14 0 2 1 11.835 23.671 0.133 44.66 4 167.8 1320.4
15 0 1 2 12.061 24.122 0.136 42.93 4 96.0 415.3
16 1 2 -1 12.231 24.463 0.138 41.68 4 238.3 2485.1
17 2 0 -2 12.47 24.94 0.14 40.03 2 136.7 392.6
18 1 0 2 13.525 27.049 0.152 33.72 2 544.9 5256.6
19 2 1 -2 13.555 27.109 0.152 33.56 4 61.7 134.0
20 1 2 1 13.676 27.352 0.153 32.94 4 104.3 375.9
21 2 1 1 14.353 28.707 0.161 29.72 4 61.6 118.5
22 1 1 2 14.536 29.073 0.163 28.92 4 243.2 1796.4
23 2 2 -1 14.695 29.39 0.165 28.26 4 20.6 12.6
24 1 2 -2 14.874 29.748 0.167 27.54 4 260.5 1961.6
25 2 2 0 14.947 29.894 0.167 27.25 4 138.8 550.8
26 0 2 2 15.182 30.364 0.17 26.36 4 412.1 4699.9
27 3 0 0 15.885 31.77 0.178 23.91 2 70.0 61.4
28 3 1 -1 15.953 31.906 0.178 23.69 4 357.7 3182.0
29 3 0 -2 16.135 32.27 0.18 23.12 2 50.4 30.9
30 1 1 -3 16.394 32.788 0.183 22.33 4 480.7 5418.1
31 2 2 -2 16.414 32.829 0.183 22.27 4 211.5 1045.7
32 1 3 0 16.753 33.506 0.187 21.31 4 409.8 3756.3
33 3 1 0 16.767 33.535 0.187 21.27 4 231.2 1193.1
34 0 3 1 16.807 33.613 0.188 21.16 4 260.1 1503.1
35 3 1 -2 17.006 34.012 0.19 20.63 4 444.1 4271.0
36 2 2 1 17.092 34.183 0.191 20.4 4 448.7 4312.1
37 1 3 -1 17.096 34.192 0.191 20.39 4 187.1 749.5
38 0 1 3 17.242 34.483 0.192 20.02 4 67.3 95.1
39 1 2 2 17.248 34.497 0.192 20.0 4 74.9 117.6
40 2 1 -3 17.268 34.535 0.193 19.95 4 240.7 1213.5
41 2 0 2 17.525 35.051 0.195 19.32 2 159.9 259.3
42 1 3 1 18.188 36.377 0.203 17.81 4 226.0 955.2
43 2 1 2 18.338 36.675 0.204 17.49 4 100.1 184.0
44 3 2 -1 18.479 36.958 0.206 17.2 4 17.8 5.7
45 1 2 -3 18.868 37.736 0.21 16.43 4 98.2 166.2
46 2 3 -1 18.99 37.98 0.211 16.19 4 14.0 3.3
47 1 3 -2 19.133 38.266 0.213 15.93 4 166.0 460.9
48 2 3 0 19.191 38.383 0.213 15.82 4 90.5 136.0
49 3 2 0 19.199 38.399 0.213 15.81 4 8.5 1.2
50 3 1 1 19.24 38.479 0.214 15.73 4 347.6 1995.4
51 0 3 2 19.381 38.761 0.215 15.48 4 161.6 424.6
52 3 2 -2 19.412 38.824 0.216 15.42 4 21.8 7.7
53 1 1 3 19.615 39.231 0.218 15.07 4 3.9 0.2
54 0 2 3 19.622 39.245 0.218 15.06 4 207.0 677.5
55 2 2 -3 19.646 39.291 0.218 15.02 4 33.3 17.4
56 3 1 -3 19.662 39.324 0.218 14.99 4 99.0 154.4
57 2 3 -2 20.39 40.78 0.226 13.83 4 232.0 781.4
58 2 2 2 20.61 41.22 0.228 13.5 4 154.7 339.0
59 4 0 -2 20.66 41.321 0.229 13.43 2 139.2 136.7
60 1 0 -4 20.939 41.878 0.232 13.03 2 182.1 226.9
61 2 3 1 20.956 41.912 0.232 13.01 4 20.8 5.9
62 4 1 -1 20.99 41.979 0.233 12.96 4 14.5 2.9
63 1 3 2 21.088 42.176 0.234 12.83 4 107.0 154.2
64 2 0 -4 21.19 42.381 0.235 12.69 2 336.8 755.3
65 4 1 -2 21.371 42.742 0.237 12.45 4 96.4 121.4
66 0 4 0 21.381 42.763 0.237 12.43 2 24.8 4.0
67 4 0 0 21.404 42.809 0.237 12.4 2 86.1 48.3
68 3 2 1 21.431 42.862 0.237 12.37 4 40.3 21.1
69 1 1 -4 21.642 43.285 0.239 12.1 4 53.7 36.6
70 1 2 3 21.775 43.551 0.241 11.93 4 235.6 695.5
71 3 2 -3 21.818 43.636 0.241 11.88 4 288.4 1037.5
72 2 1 -4 21.887 43.775 0.242 11.8 4 222.4 612.6
73 1 4 0 22.075 44.15 0.244 11.57 4 224.5 612.2
74 0 0 4 22.089 44.179 0.244 11.56 2 192.4 224.5
75 4 1 0 22.096 44.192 0.244 11.55 4 273.1 904.1
76 0 4 1 22.117 44.234 0.244 11.52 4 89.6 97.1
77 3 3 -1 22.137 44.275 0.245 11.5 4 83.6 84.3
78 3 0 2 22.245 44.49 0.246 11.38 2 77.5 35.9
79 1 4 -1 22.348 44.695 0.247 11.26 4 158.9 298.3
80 1 3 -3 22.473 44.946 0.248 11.12 4 142.2 236.0
81 3 3 0 22.761 45.522 0.251 10.8 4 281.5 898.5
82 0 1 4 22.764 45.529 0.251 10.8 4 29.1 9.6
83 3 0 -4 22.807 45.614 0.252 10.75 2 206.3 240.2
84 3 1 2 22.916 45.832 0.253 10.64 4 313.1 1094.4
85 3 3 -2 22.946 45.892 0.253 10.61 4 94.0 98.4
86 4 2 -1 23.044 46.088 0.254 10.5 4 304.7 1024.1
87 2 1 3 23.121 46.242 0.255 10.43 4 45.9 23.1
88 0 3 3 23.13 46.261 0.255 10.42 4 38.9 16.5
89 2 3 -3 23.151 46.301 0.255 10.39 4 137.8 207.3
90 4 1 -3 23.182 46.364 0.256 10.36 4 43.2 20.3
91 1 4 1 23.231 46.462 0.256 10.31 4 174.2 328.7
92 4 2 -2 23.399 46.798 0.258 10.15 4 197.7 416.3
93 3 1 -4 23.466 46.931 0.258 10.08 4 88.0 82.0
94 1 2 -4 23.652 47.303 0.26 9.9 4 196.9 402.9
95 2 2 -4 23.881 47.761 0.263 9.69 4 125.4 159.9
96 2 4 -1 23.892 47.784 0.263 9.68 4 391.1 1554.2
97 2 3 2 24.0 48.001 0.264 9.58 4 377.4 1432.4
98 1 4 -2 24.011 48.022 0.264 9.57 4 74.8 56.2
99 2 4 0 24.06 48.119 0.265 9.53 4 12.3 1.5
100 4 2 0 24.075 48.151 0.265 9.51 4 226.9 514.1
101 0 4 2 24.218 48.435 0.266 9.38 4 186.0 340.9
102 1 0 4 24.485 48.969 0.269 9.15 2 90.7 39.6
103 4 1 1 24.529 49.059 0.269 9.12 4 295.2 833.7
104 0 2 4 24.702 49.405 0.271 8.97 4 228.1 489.9
105 3 3 1 24.732 49.464 0.272 8.95 4 98.3 90.8
106 3 2 2 24.845 49.69 0.273 8.85 4 76.7 54.7
107 2 2 3 25.038 50.076 0.275 8.7 4 10.7 1.0
108 1 3 3 25.041 50.082 0.275 8.7 4 112.8 116.2
109 2 4 -2 25.07 50.139 0.275 8.68 4 88.1 70.7
110 3 3 -3 25.079 50.159 0.275 8.67 4 65.8 39.4
111 4 2 -3 25.095 50.191 0.275 8.65 4 62.5 35.5
112 1 1 4 25.11 50.219 0.275 8.64 4 337.2 1031.5
113 3 2 -4 25.363 50.726 0.278 8.45 4 18.6 3.1
114 2 4 1 25.553 51.106 0.28 8.31 4 44.3 17.1
115 4 0 -4 25.585 51.17 0.28 8.28 2 443.1 853.6
116 1 4 2 25.667 51.333 0.281 8.22 4 16.9 2.5
117 5 0 -2 25.724 51.448 0.282 8.18 2 505.3 1096.2
118 4 3 -1 26.188 52.376 0.286 7.85 4 66.1 36.0
119 4 1 -4 26.191 52.382 0.286 7.85 4 217.6 390.4
120 5 1 -2 26.328 52.656 0.288 7.76 4 129.7 137.1
121 4 2 1 26.37 52.739 0.288 7.73 4 64.9 34.2
122 5 1 -1 26.401 52.802 0.289 7.71 4 95.9 74.5
123 4 3 -2 26.511 53.023 0.29 7.64 4 337.9 915.5
124 3 4 -1 26.576 53.152 0.29 7.6 4 339.9 921.3
125 1 3 -4 26.742 53.484 0.292 7.49 4 105.1 86.8
126 1 4 -3 26.869 53.739 0.293 7.41 4 224.1 390.6
127 1 2 4 26.921 53.842 0.294 7.38 4 247.5 474.4
128 2 3 -4 26.952 53.903 0.294 7.36 4 90.0 62.6
129 2 1 -5 27.099 54.197 0.296 7.27 4 120.6 111.0
130 3 4 0 27.122 54.244 0.296 7.25 4 6.3 0.3
131 4 3 0 27.13 54.261 0.296 7.25 4 63.5 30.7
132 5 0 0 27.141 54.282 0.296 7.24 2 56.8 12.3
133 1 1 -5 27.279 54.558 0.298 7.16 4 270.6 550.1
134 3 4 -2 27.285 54.57 0.298 7.15 4 121.8 111.4
135 3 1 3 27.438 54.877 0.299 7.06 4 91.7 62.3
136 0 4 3 27.447 54.895 0.299 7.06 4 354.8 932.7
137 4 0 2 27.457 54.913 0.299 7.05 2 272.9 275.7
138 2 4 -3 27.465 54.931 0.299 7.05 4 274.3 556.5
139 5 1 -3 27.51 55.02 0.3 7.02 4 86.9 55.7
140 1 5 0 27.695 55.389 0.302 6.92 4 164.1 195.5
141 0 3 4 27.707 55.414 0.302 6.91 4 211.0 322.9
142 5 1 0 27.723 55.446 0.302 6.9 4 33.7 8.2
143 0 5 1 27.73 55.461 0.302 6.9 4 120.9 105.9
144 3 3 2 27.839 55.678 0.303 6.83 4 7.3 0.4
145 2 0 4 27.887 55.773 0.304 6.81 2 376.9 507.6
146 1 5 -1 27.926 55.852 0.304 6.79 4 339.6 821.5
147 4 2 -4 27.953 55.906 0.304 6.77 4 219.7 343.2
148 2 3 3 28.017 56.034 0.305 6.74 4 115.4 94.1
149 4 1 2 28.034 56.069 0.305 6.73 4 78.7 43.8
150 4 3 -3 28.07 56.14 0.305 6.71 4 102.7 74.2
151 3 1 -5 28.082 56.164 0.306 6.7 4 17.7 2.2
152 5 2 -2 28.084 56.168 0.306 6.7 4 107.2 80.8
153 5 2 -1 28.154 56.308 0.306 6.66 4 86.7 52.6
154 2 4 2 28.22 56.439 0.307 6.63 4 80.5 45.1
155 3 3 -4 28.318 56.635 0.308 6.58 4 448.5 1388.6
156 2 1 4 28.458 56.917 0.309 6.5 4 233.4 371.7
157 0 1 5 28.608 57.217 0.311 6.42 4 249.0 418.1
158 1 5 1 28.682 57.364 0.312 6.39 4 156.4 164.0
159 2 2 -5 28.823 57.646 0.313 6.32 4 230.5 352.4
160 3 4 1 28.875 57.75 0.313 6.29 4 266.8 470.3
161 1 2 -5 28.996 57.992 0.315 6.23 4 1.9 0.0
162 3 2 3 29.149 58.298 0.316 6.16 4 249.6 402.9
163 1 4 3 29.153 58.305 0.316 6.16 4 42.1 11.4
164 3 4 -3 29.187 58.375 0.317 6.14 4 43.8 12.4
165 5 2 -3 29.218 58.437 0.317 6.13 4 192.6 238.6
166 2 5 -1 29.253 58.507 0.317 6.11 4 60.2 23.3
167 4 3 1 29.254 58.509 0.317 6.11 4 36.5 8.6
168 5 0 -4 29.293 58.585 0.318 6.09 2 88.5 25.0
169 1 5 -2 29.357 58.714 0.318 6.06 4 137.7 120.6
170 2 5 0 29.399 58.798 0.319 6.04 4 101.7 65.6
171 5 2 0 29.423 58.846 0.319 6.03 4 292.1 540.2
172 0 5 2 29.537 59.074 0.32 5.98 4 195.6 240.2
173 4 2 2 29.723 59.446 0.322 5.89 4 110.1 75.0
174 3 2 -5 29.769 59.537 0.322 5.87 4 42.0 10.9
175 1 3 4 29.77 59.54 0.322 5.87 4 91.2 51.2
176 5 1 -4 29.847 59.694 0.323 5.84 4 272.5 455.1
177 2 2 4 30.132 60.264 0.326 5.72 4 239.3 343.7
178 4 1 -5 30.154 60.307 0.326 5.71 4 41.6 10.3
179 5 1 1 30.184 60.367 0.326 5.7 4 67.2 27.0
180 4 4 -1 30.192 60.385 0.326 5.69 4 6.9 0.3
181 0 2 5 30.277 60.553 0.327 5.66 4 254.4 384.4
182 2 5 -2 30.284 60.568 0.327 5.65 4 99.7 59.0
183 4 4 -2 30.487 60.975 0.329 5.57 4 153.5 137.8
184 1 4 -4 30.698 61.397 0.331 5.48 4 91.0 47.7
185 2 5 1 30.711 61.422 0.332 5.48 4 230.6 306.0
186 4 3 -4 30.74 61.479 0.332 5.47 4 87.0 43.4
187 1 5 2 30.812 61.624 0.332 5.44 4 21.4 2.6
188 5 3 -2 30.863 61.726 0.333 5.42 4 100.0 56.9
189 2 4 -4 30.89 61.78 0.333 5.41 4 117.7 78.6
190 5 3 -1 30.929 61.858 0.334 5.39 4 191.4 207.4
191 1 1 5 30.991 61.982 0.334 5.37 4 14.2 1.1
192 4 4 0 31.054 62.108 0.335 5.35 4 32.4 5.9
193 6 0 -2 31.238 62.476 0.337 5.28 2 113.9 35.9
194 5 2 -4 31.475 62.95 0.339 5.19 4 162.3 143.6
195 2 3 -5 31.561 63.122 0.34 5.16 4 204.9 227.3
196 0 4 4 31.585 63.17 0.34 5.15 4 11.9 0.8
197 3 5 -1 31.623 63.245 0.34 5.14 4 176.3 167.6
198 3 4 2 31.707 63.413 0.341 5.11 4 146.1 114.4
199 1 3 -5 31.725 63.451 0.341 5.1 4 253.8 345.0
200 4 2 -5 31.772 63.544 0.342 5.08 4 289.6 447.8
201 6 1 -2 31.772 63.545 0.342 5.08 4 137.8 101.4
202 5 2 1 31.801 63.603 0.342 5.07 4 257.8 354.1
203 3 3 3 31.871 63.741 0.343 5.05 4 142.6 107.8
204 2 4 3 31.871 63.742 0.343 5.05 4 326.5 565.2
205 1 5 -3 31.886 63.772 0.343 5.05 4 63.4 21.3
206 4 4 -3 31.92 63.841 0.343 5.03 4 297.1 466.5
207 5 3 -3 31.936 63.872 0.343 5.03 4 205.4 222.7
208 3 0 4 32.102 64.204 0.345 4.97 2 199.8 104.2
209 3 5 0 32.113 64.227 0.345 4.97 4 20.8 2.3
210 5 3 0 32.131 64.261 0.345 4.96 4 286.6 427.8
211 3 4 -4 32.15 64.3 0.345 4.96 4 31.3 5.1
212 6 1 -1 32.188 64.377 0.346 4.94 4 37.1 7.1
213 3 5 -2 32.26 64.521 0.346 4.92 4 152.7 120.3
214 2 0 -6 32.292 64.584 0.347 4.91 2 415.9 445.7
215 4 1 3 32.401 64.801 0.348 4.87 4 251.5 323.5
216 0 5 3 32.407 64.814 0.348 4.87 4 319.0 520.5
217 4 3 2 32.416 64.831 0.348 4.87 4 235.5 283.3
218 2 5 -3 32.423 64.847 0.348 4.87 4 319.9 522.6
219 3 3 -5 32.459 64.918 0.348 4.85 4 69.7 24.8
220 6 1 -3 32.482 64.964 0.349 4.85 4 12.3 0.8
221 1 2 5 32.586 65.172 0.35 4.81 4 95.5 46.0
222 3 1 4 32.628 65.256 0.35 4.8 4 44.4 9.9
223 1 0 -6 32.801 65.603 0.352 4.75 2 279.1 194.1
224 2 3 4 32.805 65.61 0.352 4.74 4 58.0 16.8
225 2 1 -6 32.817 65.633 0.352 4.74 4 2.7 0.0
226 3 0 -6 32.834 65.668 0.352 4.74 2 188.3 88.2
227 0 3 5 32.943 65.886 0.353 4.7 4 97.2 46.6
228 4 4 1 33.021 66.042 0.354 4.68 4 284.5 397.6
229 2 5 2 33.108 66.216 0.355 4.65 4 193.7 183.3
230 5 0 2 33.119 66.237 0.355 4.65 2 241.6 142.5
231 0 6 0 33.152 66.304 0.355 4.64 2 205.5 102.8
232 6 0 0 33.19 66.38 0.355 4.63 2 538.9 705.6
233 5 1 -5 33.193 66.385 0.355 4.63 4 18.3 1.6
234 1 1 -6 33.322 66.644 0.357 4.59 4 51.9 13.0
235 6 2 -2 33.347 66.693 0.357 4.58 4 271.5 354.5
236 3 1 -6 33.354 66.708 0.357 4.58 4 181.6 158.5
237 1 4 4 33.503 67.006 0.358 4.54 4 141.7 95.6
238 5 1 2 33.637 67.273 0.36 4.5 4 133.7 84.4
239 1 6 0 33.671 67.341 0.36 4.49 4 201.4 191.2
240 0 6 1 33.703 67.405 0.36 4.48 4 3.4 0.1
241 3 5 1 33.706 67.413 0.36 4.48 4 263.3 326.1
242 6 1 0 33.708 67.415 0.36 4.48 4 20.5 2.0
243 6 2 -1 33.752 67.505 0.361 4.47 4 140.0 91.9
244 6 0 -4 33.767 67.533 0.361 4.46 2 262.2 161.0
245 1 6 -1 33.877 67.755 0.362 4.43 4 166.8 129.5
246 4 2 3 33.959 67.919 0.363 4.41 4 12.0 0.7
247 1 5 3 33.961 67.922 0.363 4.41 4 140.6 91.5
248 3 5 -3 33.993 67.986 0.363 4.4 4 22.1 2.3
249 6 2 -3 34.039 68.078 0.363 4.39 4 215.3 213.5
250 5 3 -4 34.09 68.18 0.364 4.37 4 44.5 9.1
251 3 2 4 34.182 68.363 0.365 4.35 4 14.9 1.0
252 6 1 -4 34.28 68.56 0.366 4.32 4 32.0 4.6
253 2 1 5 34.304 68.609 0.366 4.32 4 72.9 24.1
254 0 0 6 34.338 68.677 0.366 4.31 2 131.1 38.9
255 2 2 -6 34.366 68.732 0.366 4.3 4 89.9 36.5
256 4 3 -5 34.375 68.75 0.366 4.3 4 74.3 24.9
257 4 0 -6 34.402 68.803 0.367 4.29 2 242.7 132.7
258 5 3 1 34.403 68.806 0.367 4.29 4 132.6 79.3
259 4 4 -4 34.414 68.827 0.367 4.29 4 55.0 13.6
260 5 4 -2 34.53 69.06 0.368 4.26 4 10.1 0.5
261 1 6 1 34.556 69.112 0.368 4.25 4 220.2 216.6
262 5 4 -1 34.592 69.185 0.369 4.24 4 189.4 159.9
263 5 2 -5 34.734 69.467 0.37 4.21 4 94.5 39.5
264 0 1 6 34.848 69.695 0.371 4.18 4 171.7 129.4
265 1 2 -6 34.86 69.72 0.371 4.18 4 63.4 17.6
266 3 2 -6 34.892 69.783 0.371 4.17 4 248.5 270.3
267 4 1 -6 34.91 69.821 0.371 4.17 4 228.3 228.0
268 4 5 -1 34.92 69.84 0.372 4.16 4 227.9 227.0
269 2 6 -1 35.072 70.145 0.373 4.13 4 99.8 43.2
270 1 3 5 35.158 70.316 0.374 4.11 4 33.6 4.9
271 1 6 -2 35.166 70.333 0.374 4.11 4 74.4 23.9
272 5 2 2 35.168 70.336 0.374 4.1 4 163.2 114.7
273 2 4 -5 35.19 70.38 0.374 4.1 4 116.8 58.8
274 4 5 -2 35.193 70.387 0.374 4.1 4 136.7 80.5
275 2 6 0 35.205 70.41 0.374 4.1 4 31.0 4.1
276 6 2 0 35.238 70.476 0.375 4.09 4 2.4 0.0
277 0 6 2 35.33 70.66 0.375 4.07 4 218.0 203.0
278 1 4 -5 35.345 70.691 0.376 4.06 4 88.5 33.4
279 1 5 -4 35.389 70.779 0.376 4.05 4 21.9 2.0
280 3 4 3 35.483 70.966 0.377 4.03 4 16.6 1.2
281 5 4 -3 35.545 71.091 0.377 4.02 4 18.3 1.4
282 2 5 -4 35.568 71.136 0.378 4.01 4 102.2 44.0
283 4 5 0 35.721 71.442 0.379 3.98 4 146.8 90.0
284 5 4 0 35.73 71.46 0.379 3.98 4 100.7 42.3
285 6 2 -4 35.799 71.597 0.38 3.96 4 195.6 159.2
286 2 2 5 35.823 71.646 0.38 3.96 4 187.6 146.1
287 6 3 -2 35.892 71.785 0.381 3.94 4 175.0 126.7
288 4 4 2 36.001 72.002 0.382 3.92 4 84.4 29.3
289 2 6 -2 36.011 72.023 0.382 3.92 4 43.9 7.9
290 3 4 -5 36.042 72.085 0.382 3.91 4 198.3 161.5
291 0 5 4 36.217 72.434 0.384 3.87 4 44.5 8.1
292 6 1 1 36.262 72.525 0.384 3.86 4 12.5 0.6
293 6 3 -1 36.285 72.57 0.384 3.86 4 188.3 143.6
294 3 5 2 36.331 72.661 0.385 3.85 4 101.2 41.4
295 0 2 6 36.356 72.712 0.385 3.85 4 111.0 49.7
296 2 4 4 36.372 72.744 0.385 3.84 4 91.4 33.7
297 2 6 1 36.404 72.807 0.385 3.84 4 311.5 390.7
298 4 2 -6 36.418 72.836 0.385 3.83 4 94.5 35.9
299 2 5 3 36.485 72.97 0.386 3.82 4 15.8 1.0
300 4 3 3 36.486 72.971 0.386 3.82 4 204.8 168.2
301 1 6 2 36.496 72.992 0.386 3.82 4 234.5 220.5
302 0 4 5 36.504 73.008 0.386 3.82 4 41.6 6.9
303 4 5 -3 36.531 73.062 0.386 3.81 4 38.0 5.8
304 6 3 -3 36.563 73.125 0.387 3.8 4 120.8 58.3
305 3 3 4 36.701 73.403 0.388 3.78 4 345.9 474.4
306 3 5 -4 36.746 73.493 0.388 3.77 4 176.6 123.4
307 1 0 6 36.843 73.686 0.389 3.75 2 184.5 67.0
308 2 3 -6 36.88 73.76 0.39 3.74 4 282.2 312.8
309 5 0 -6 36.935 73.87 0.39 3.73 2 79.6 12.4
310 4 0 4 37.031 74.063 0.391 3.71 2 248.5 120.4
311 6 1 -5 37.093 74.186 0.391 3.7 4 280.5 305.7
312 7 0 -2 37.236 74.472 0.393 3.68 2 161.5 50.4
313 5 3 -5 37.237 74.474 0.393 3.68 4 23.5 2.1
314 3 6 -1 37.245 74.489 0.393 3.67 4 23.6 2.1
315 1 1 6 37.338 74.676 0.394 3.66 4 109.0 45.7
316 1 3 -6 37.36 74.72 0.394 3.65 4 236.2 213.9
317 3 3 -6 37.391 74.781 0.394 3.65 4 64.8 16.1
318 5 1 -6 37.429 74.859 0.395 3.64 4 161.3 99.5
319 1 6 -3 37.489 74.978 0.395 3.63 4 46.4 8.2
320 4 1 4 37.525 75.05 0.395 3.62 4 233.1 206.7
321 4 5 1 37.568 75.135 0.396 3.62 4 76.7 22.3
322 5 4 -4 37.601 75.203 0.396 3.61 4 190.6 137.7
323 5 3 2 37.66 75.32 0.397 3.6 4 195.0 143.8
324 3 6 0 37.7 75.401 0.397 3.59 4 20.9 1.6
325 6 3 0 37.728 75.455 0.397 3.59 4 27.9 2.9
326 7 1 -2 37.729 75.457 0.397 3.59 4 143.7 77.9
327 6 2 1 37.748 75.496 0.397 3.59 4 103.3 40.2
328 3 6 -2 37.837 75.675 0.398 3.57 4 42.8 6.9
329 4 4 -5 37.875 75.751 0.399 3.56 4 94.4 33.3
330 5 4 1 37.902 75.805 0.399 3.56 4 126.0 59.3
331 5 1 3 37.971 75.943 0.399 3.55 4 240.4 215.4
332 0 6 3 37.974 75.948 0.399 3.55 4 27.3 2.8
333 2 6 -3 37.989 75.979 0.4 3.55 4 97.3 35.2
334 1 5 4 38.024 76.048 0.4 3.54 4 182.7 124.1
335 7 1 -3 38.062 76.125 0.4 3.53 4 306.4 348.2
336 6 3 -4 38.274 76.549 0.402 3.5 4 214.7 169.3
337 2 3 5 38.298 76.596 0.402 3.5 4 91.2 30.5
338 7 1 -1 38.439 76.877 0.404 3.47 4 3.8 0.1
339 3 1 5 38.457 76.913 0.404 3.47 4 111.8 45.5
340 6 2 -5 38.567 77.134 0.405 3.45 4 171.1 106.1
341 2 6 2 38.63 77.26 0.405 3.44 4 142.3 73.2
342 1 4 5 38.63 77.26 0.405 3.44 4 357.1 461.1
343 1 2 6 38.809 77.617 0.407 3.42 4 83.6 25.1
344 0 3 6 38.819 77.637 0.407 3.42 4 36.9 4.9
345 4 3 -6 38.879 77.758 0.407 3.41 4 22.6 1.8
346 4 5 -4 38.89 77.781 0.408 3.41 4 2.0 0.0
347 5 2 -6 38.899 77.798 0.408 3.4 4 124.9 55.7
348 7 0 -4 38.945 77.891 0.408 3.4 2 164.6 48.3
349 4 2 4 38.994 77.987 0.408 3.39 4 105.0 39.3
350 5 5 -2 39.001 78.003 0.409 3.39 4 53.1 10.0
351 5 5 -1 39.061 78.122 0.409 3.38 4 153.0 83.0
352 2 1 -7 39.091 78.182 0.409 3.38 4 37.6 5.0
353 3 6 1 39.192 78.385 0.41 3.36 4 136.9 66.2
354 7 2 -2 39.195 78.39 0.41 3.36 4 187.5 124.0
355 3 1 -7 39.271 78.542 0.411 3.35 4 154.1 83.5
356 6 0 2 39.296 78.592 0.411 3.35 2 43.2 3.3
357 6 4 -2 39.34 78.68 0.411 3.34 4 149.3 78.2
358 7 1 -4 39.431 78.863 0.412 3.33 4 10.6 0.4
359 1 6 3 39.433 78.866 0.412 3.33 4 4.6 0.1
360 5 2 3 39.435 78.869 0.412 3.33 4 79.5 22.1
361 3 6 -3 39.463 78.926 0.413 3.32 4 234.5 192.0
362 7 2 -3 39.525 79.049 0.413 3.32 4 106.9 39.8
363 2 5 -5 39.633 79.266 0.414 3.3 4 39.1 5.3
364 7 0 0 39.692 79.383 0.415 3.29 2 6.7 0.1
365 6 4 -1 39.721 79.442 0.415 3.29 4 120.0 49.7
366 6 1 2 39.781 79.561 0.415 3.28 4 95.6 31.5
367 1 5 -5 39.782 79.564 0.415 3.28 4 376.2 487.7
368 1 1 -7 39.883 79.767 0.416 3.27 4 119.7 49.2
369 7 2 -1 39.897 79.794 0.416 3.27 4 198.5 135.1
370 3 5 3 39.914 79.828 0.416 3.27 4 37.5 4.8
371 3 2 5 39.915 79.829 0.417 3.27 4 22.0 1.7
372 4 4 3 39.916 79.831 0.417 3.27 4 177.4 107.9
373 5 5 -3 39.974 79.948 0.417 3.26 4 150.5 77.4
374 6 4 -3 39.99 79.981 0.417 3.26 4 280.6 269.1
375 3 4 4 40.125 80.25 0.418 3.24 4 71.5 17.4
376 1 7 0 40.128 80.256 0.418 3.24 4 27.9 2.6
377 5 5 0 40.151 80.303 0.419 3.24 4 157.8 84.6
378 0 7 1 40.158 80.315 0.419 3.24 4 127.7 55.4
379 7 1 0 40.175 80.35 0.419 3.23 4 57.4 11.2
380 6 3 1 40.182 80.365 0.419 3.23 4 170.5 98.6
381 2 0 6 40.255 80.51 0.419 3.22 2 273.8 126.8
382 2 4 -6 40.299 80.598 0.42 3.22 4 14.5 0.7
383 1 7 -1 40.321 80.643 0.42 3.22 4 111.6 42.0
384 4 6 -1 40.342 80.683 0.42 3.21 4 243.1 199.4
385 6 0 -6 40.374 80.749 0.42 3.21 2 52.2 4.6
386 4 5 2 40.412 80.825 0.421 3.2 4 40.8 5.6
387 4 1 -7 40.42 80.839 0.421 3.2 4 21.1 1.5
388 3 5 -5 40.452 80.904 0.421 3.2 4 190.1 121.4
389 2 2 -7 40.543 81.086 0.422 3.19 4 60.2 12.1
390 4 6 -2 40.602 81.204 0.422 3.18 4 185.0 114.3
391 5 4 -5 40.647 81.294 0.423 3.18 4 327.8 358.5
392 3 2 -7 40.721 81.442 0.423 3.17 4 175.3 102.3
393 2 1 6 40.737 81.474 0.424 3.17 4 223.6 166.3
394 1 4 -6 40.767 81.534 0.424 3.16 4 182.4 110.4
395 2 5 4 40.77 81.54 0.424 3.16 4 110.2 40.3
396 1 6 -4 40.789 81.578 0.424 3.16 4 43.0 6.1
397 3 4 -6 40.797 81.593 0.424 3.16 4 99.1 32.6
398 6 1 -6 40.856 81.712 0.425 3.15 4 135.1 60.5
399 7 2 -4 40.88 81.76 0.425 3.15 4 153.0 77.4
400 0 5 5 40.897 81.795 0.425 3.15 4 23.6 1.8
401 2 6 -4 40.96 81.919 0.426 3.14 4 50.2 8.3
402 1 7 1 40.96 81.92 0.426 3.14 4 165.7 90.6
403 6 3 -5 40.987 81.975 0.426 3.14 4 24.6 2.0
404 5 4 2 41.059 82.118 0.426 3.13 4 2.8 0.0
405 4 6 0 41.106 82.212 0.427 3.13 4 37.9 4.7
406 6 4 0 41.125 82.251 0.427 3.12 4 2.0 0.0
407 1 3 6 41.226 82.451 0.428 3.11 4 292.2 279.1
408 6 2 2 41.227 82.453 0.428 3.11 4 240.1 188.4
409 5 3 -6 41.315 82.629 0.429 3.1 4 234.7 179.6
410 1 2 -7 41.328 82.657 0.429 3.1 4 101.2 33.3
411 4 3 4 41.408 82.816 0.429 3.1 4 103.4 34.8
412 2 7 -1 41.448 82.897 0.43 3.09 4 328.9 351.0
413 1 7 -2 41.537 83.075 0.43 3.08 4 15.7 0.8
414 2 7 0 41.574 83.148 0.431 3.08 4 63.0 12.8
415 0 6 4 41.581 83.162 0.431 3.08 4 58.7 11.1
416 7 3 -2 41.606 83.213 0.431 3.08 4 24.5 1.9
417 7 2 0 41.618 83.236 0.431 3.07 4 210.7 143.3
418 0 1 7 41.634 83.269 0.431 3.07 4 192.4 119.5
419 6 4 -4 41.66 83.32 0.431 3.07 4 8.1 0.2
420 2 4 5 41.683 83.366 0.432 3.07 4 108.2 37.7
421 3 6 2 41.691 83.381 0.432 3.07 4 42.1 5.7
422 0 7 2 41.693 83.385 0.432 3.07 4 57.2 10.5
423 7 1 -5 41.809 83.618 0.433 3.06 4 139.3 62.2
424 2 6 3 41.839 83.678 0.433 3.05 4 231.8 172.2
425 5 3 3 41.843 83.686 0.433 3.05 4 120.2 46.3
426 4 2 -7 41.861 83.721 0.433 3.05 4 127.6 52.2
427 4 6 -3 41.883 83.766 0.433 3.05 4 255.1 208.3
428 7 3 -3 41.932 83.864 0.434 3.04 4 127.7 52.1
429 5 5 -4 41.961 83.923 0.434 3.04 4 143.3 65.6
430 3 6 -4 42.091 84.181 0.435 3.03 4 148.2 69.9
431 2 2 6 42.176 84.352 0.436 3.02 4 51.7 8.5
432 0 4 6 42.194 84.388 0.436 3.02 4 115.5 42.3
433 4 5 -5 42.228 84.456 0.436 3.02 4 1.7 0.0
434 4 4 -6 42.253 84.506 0.436 3.02 4 28.5 2.6
435 5 5 1 42.254 84.509 0.436 3.02 4 275.2 239.7
436 6 2 -6 42.294 84.588 0.437 3.01 4 216.8 148.7
437 7 3 -1 42.3 84.599 0.437 3.01 4 53.7 9.1
438 3 3 5 42.317 84.634 0.437 3.01 4 37.6 4.5
439 2 7 -2 42.342 84.684 0.437 3.01 4 269.0 228.4
440 5 1 -7 42.52 85.04 0.439 2.99 4 261.7 215.1
441 5 0 4 42.686 85.371 0.44 2.98 2 156.1 38.1
442 2 7 1 42.717 85.434 0.44 2.98 4 1.4 0.0
443 1 7 2 42.806 85.611 0.441 2.97 4 50.8 8.1
444 4 6 1 42.884 85.769 0.442 2.96 4 109.2 37.1
445 7 1 1 42.911 85.822 0.442 2.96 4 46.4 6.7
446 2 3 -7 42.939 85.878 0.442 2.96 4 67.1 14.0
447 1 5 5 42.964 85.928 0.442 2.96 4 109.1 36.9
448 0 2 7 43.069 86.137 0.443 2.95 4 148.9 68.7
449 3 3 -7 43.115 86.231 0.444 2.95 4 102.0 32.2
450 5 1 4 43.163 86.326 0.444 2.94 4 66.8 13.8
451 7 2 -5 43.242 86.485 0.445 2.94 4 58.1 10.4
452 7 3 -4 43.273 86.546 0.445 2.93 4 117.4 42.4
453 1 6 4 43.327 86.655 0.445 2.93 4 204.1 128.1
454 4 1 5 43.429 86.857 0.446 2.92 4 170.5 89.2
455 3 7 -1 43.526 87.052 0.447 2.92 4 194.3 115.6
456 6 4 1 43.536 87.072 0.447 2.91 4 22.9 1.6
457 6 3 2 43.617 87.233 0.448 2.91 4 137.1 57.4
458 6 5 -2 43.66 87.32 0.448 2.91 4 183.4 102.6
459 1 3 -7 43.718 87.436 0.449 2.9 4 147.0 65.8
460 1 7 -3 43.762 87.524 0.449 2.9 4 366.5 409.0
461 8 0 -2 43.853 87.707 0.45 2.89 2 7.9 0.1
462 5 2 -7 43.951 87.901 0.451 2.89 4 217.5 143.4
463 3 7 0 43.966 87.933 0.451 2.89 4 238.0 171.6
464 7 3 0 44.005 88.011 0.451 2.88 4 253.8 195.1
465 6 5 -1 44.034 88.068 0.451 2.88 4 128.4 49.9
466 3 7 -2 44.099 88.198 0.452 2.88 4 34.9 3.7
467 4 6 -4 44.172 88.344 0.452 2.87 4 214.6 138.9
468 4 5 3 44.226 88.452 0.453 2.87 4 251.0 189.9
469 0 7 3 44.232 88.464 0.453 2.87 4 115.6 40.3
470 6 1 3 44.235 88.469 0.453 2.87 4 26.2 2.1
471 2 7 -3 44.247 88.493 0.453 2.87 4 113.5 38.8
472 4 3 -7 44.247 88.493 0.453 2.87 4 49.9 7.5
473 5 6 -2 44.281 88.561 0.453 2.87 4 217.7 142.6
474 6 5 -3 44.299 88.599 0.453 2.87 4 212.4 135.7
475 1 1 7 44.328 88.655 0.454 2.86 4 217.5 142.3
476 8 1 -2 44.33 88.659 0.454 2.86 4 59.7 10.7
477 6 4 -5 44.332 88.665 0.454 2.86 4 70.4 14.9
478 8 1 -3 44.338 88.675 0.454 2.86 4 215.9 140.1
479 5 6 -1 44.339 88.678 0.454 2.86 4 203.6 124.6
480 7 2 1 44.341 88.682 0.454 2.86 4 61.4 11.3
481 3 5 4 44.432 88.864 0.454 2.86 4 102.9 31.8
482 3 0 6 44.554 89.109 0.455 2.85 2 166.1 41.3
483 2 3 6 44.56 89.121 0.455 2.85 4 31.2 2.9
484 1 4 6 44.568 89.136 0.456 2.85 4 78.6 18.5
485 5 2 4 44.592 89.184 0.456 2.85 4 166.4 82.8
486 2 5 -6 44.604 89.207 0.456 2.85 4 177.9 94.6
487 5 4 -6 44.657 89.313 0.456 2.85 4 90.2 24.3
488 6 3 -6 44.678 89.356 0.456 2.84 4 26.5 2.1
489 7 0 -6 44.702 89.403 0.457 2.84 2 197.7 58.3
490 4 4 4 44.749 89.498 0.457 2.84 4 98.0 28.6
491 4 2 5 44.857 89.715 0.458 2.84 4 196.5 115.0
492 2 7 2 44.87 89.739 0.458 2.83 4 21.8 1.4
493 8 0 -4 44.882 89.765 0.458 2.83 2 209.1 65.1
494 2 6 -5 44.9 89.799 0.458 2.83 4 179.6 96.0
495 7 4 -2 44.946 89.892 0.459 2.83 4 10.6 0.3
496 5 5 -5 44.947 89.894 0.459 2.83 4 206.4 126.6
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 1 1 -1 8.123 16.245 5.45173 145.3 2.0 2.0 5.6
2 1 0 -2 10.413 20.825 4.26194 1442.5 19.5 19.5 5.6
3 2 0 0 10.514 21.028 4.22133 435.8 5.9 5.9 5.6
4 2 1 -1 11.453 22.906 3.87919 5401.1 73.0 73.1 5.6
5 1 1 -2 11.678 23.357 3.80544 1877.3 25.4 25.4 5.6
6 2 1 0 11.769 23.538 3.77645 7396.7 100.0 100.0 5.6
7 0 2 1 11.835 23.671 3.75559 1320.4 17.9 17.8 5.6
8 0 1 2 12.061 24.122 3.68638 415.3 5.6 5.6 5.6
9 1 2 -1 12.231 24.463 3.6358 2485.1 33.6 33.6 5.6
10 2 0 -2 12.47 24.94 3.56733 392.6 5.3 5.3 5.6
11 1 0 2 13.525 27.049 3.29374 5256.6 71.1 70.9 5.6
12 2 1 -2 13.555 27.109 3.28654 134.0 1.8 1.8 5.6
13 1 2 1 13.676 27.352 3.258 375.9 5.1 5.1 5.6
14 2 1 1 14.353 28.707 3.1072 118.5 1.6 1.6 5.6
15 1 1 2 14.536 29.073 3.0689 1796.4 24.3 24.2 5.6
16 1 2 -2 14.874 29.748 3.00073 1961.6 26.5 26.4 5.6
17 2 2 0 14.947 29.894 2.98646 550.8 7.4 7.4 5.6
18 0 2 2 15.182 30.364 2.94132 4699.9 63.5 63.2 5.6
19 3 1 -1 15.953 31.906 2.80254 3182.0 43.0 42.7 5.6
20 1 1 -3 16.394 32.788 2.72919 6463.7 87.4 86.7 5.6
21 1 3 0 16.753 33.506 2.67226 4949.4 66.9 66.4 5.7
22 0 3 1 16.807 33.613 2.66403 1503.1 20.3 20.2 5.7
23 3 1 -2 17.006 34.012 2.63371 4271.0 57.7 57.3 5.7
24 2 2 1 17.092 34.183 2.6209 5061.6 68.4 67.8 5.7
25 2 1 -3 17.268 34.535 2.59498 1426.2 19.3 19.1 5.7
26 2 0 2 17.525 35.051 2.558 259.3 3.5 3.5 5.7
27 1 3 1 18.188 36.377 2.46771 955.2 12.9 12.8 5.7
28 2 1 2 18.338 36.675 2.44831 184.0 2.5 2.5 5.7
29 1 2 -3 18.868 37.736 2.38191 166.2 2.2 2.2 5.7
30 1 3 -2 19.133 38.266 2.35011 460.9 6.2 6.2 5.7
31 2 3 0 19.191 38.383 2.34323 137.2 1.9 1.8 5.7
32 3 1 1 19.24 38.479 2.33759 1995.4 27.0 26.6 5.7
33 0 3 2 19.381 38.761 2.32124 424.6 5.7 5.7 5.7
34 0 2 3 19.622 39.245 2.29373 694.9 9.4 9.3 5.7
35 3 1 -3 19.662 39.324 2.2893 154.4 2.1 2.1 5.7
36 2 3 -2 20.39 40.78 2.21086 781.4 10.6 10.4 5.7
37 2 2 2 20.61 41.22 2.18828 339.0 4.6 4.5 5.7
38 4 0 -2 20.66 41.321 2.18316 136.7 1.8 1.8 5.7
39 1 0 -4 20.939 41.878 2.15541 232.8 3.1 3.1 5.7
40 1 3 2 21.088 42.176 2.14086 154.2 2.1 2.1 5.7
41 2 0 -4 21.19 42.381 2.13097 755.3 10.2 10.0 5.7
42 4 1 -2 21.371 42.742 2.11378 125.4 1.7 1.7 5.7
43 1 2 3 21.775 43.551 2.07639 695.5 9.4 9.2 5.7
44 3 2 -3 21.818 43.636 2.07253 1037.5 14.0 13.8 5.7
45 2 1 -4 21.887 43.775 2.0663 612.6 8.3 8.1 5.7
46 4 1 0 22.096 44.192 2.04777 1922.2 26.0 25.5 5.7
47 1 4 -1 22.348 44.695 2.02586 298.3 4.0 4.0 5.7
48 1 3 -3 22.473 44.946 2.01512 236.0 3.2 3.1 5.7
49 3 3 0 22.761 45.522 1.99097 908.1 12.3 12.0 5.7
50 3 0 -4 22.807 45.614 1.98717 240.2 3.2 3.2 5.7
51 3 1 2 22.916 45.832 1.97821 1094.4 14.8 14.5 5.7
52 3 3 -2 22.946 45.892 1.97576 98.4 1.3 1.3 5.7
53 4 2 -1 23.044 46.088 1.9678 1024.1 13.8 13.6 5.7
54 2 3 -3 23.151 46.301 1.95925 207.3 2.8 2.7 5.7
55 1 4 1 23.231 46.462 1.95284 328.7 4.4 4.4 5.7
56 4 2 -2 23.399 46.798 1.9396 416.3 5.6 5.5 5.7
57 3 1 -4 23.466 46.931 1.93442 82.0 1.1 1.1 5.7
58 1 2 -4 23.652 47.303 1.92005 402.9 5.4 5.3 5.7
59 2 4 -1 23.892 47.784 1.90186 1714.1 23.2 22.7 5.7
60 2 3 2 24.0 48.001 1.89377 1488.6 20.1 19.7 5.7
61 4 2 0 24.075 48.151 1.88822 515.6 7.0 6.8 5.7
62 0 4 2 24.218 48.435 1.87779 340.9 4.6 4.5 5.7
63 4 1 1 24.529 49.059 1.85538 833.7 11.3 11.0 5.7
64 0 2 4 24.702 49.405 1.84319 489.9 6.6 6.5 5.7
65 3 3 1 24.732 49.464 1.84111 90.8 1.2 1.2 5.7
66 2 4 -2 25.07 50.139 1.8179 262.8 3.6 3.5 5.7
67 1 1 4 25.11 50.219 1.81519 1031.5 13.9 13.6 5.8
68 4 0 -4 25.585 51.17 1.78367 853.6 11.5 11.2 5.8
69 5 0 -2 25.724 51.448 1.77467 1096.2 14.8 14.4 5.8
70 4 1 -4 26.191 52.382 1.74522 426.4 5.8 5.6 5.8
71 5 1 -2 26.328 52.656 1.7368 137.1 1.9 1.8 5.8
72 5 1 -1 26.401 52.802 1.73232 74.5 1.0 1.0 5.8
73 4 3 -2 26.511 53.023 1.72563 915.5 12.4 12.0 5.8
74 3 4 -1 26.576 53.152 1.72175 921.3 12.5 12.1 5.8
75 1 3 -4 26.742 53.484 1.71183 86.8 1.2 1.1 5.8
76 1 4 -3 26.869 53.739 1.70432 390.6 5.3 5.1 5.8
77 1 2 4 26.921 53.842 1.70128 474.4 6.4 6.2 5.8
78 2 1 -5 27.099 54.197 1.69098 111.3 1.5 1.5 5.8
79 1 1 -5 27.279 54.558 1.68064 661.5 8.9 8.7 5.8
80 2 4 -3 27.465 54.931 1.67012 1827.2 24.7 23.9 5.8
81 0 3 4 27.707 55.414 1.65669 632.6 8.6 8.3 5.8
82 2 0 4 27.887 55.773 1.64687 507.6 6.9 6.6 5.8
83 1 5 -1 27.926 55.852 1.64473 1164.8 15.7 15.2 5.8
84 2 3 3 28.017 56.034 1.63983 137.9 1.9 1.8 5.8
85 5 2 -2 28.084 56.168 1.63623 157.2 2.1 2.1 5.8
86 3 3 -4 28.318 56.635 1.62383 1388.6 18.8 18.2 5.8
87 2 1 4 28.458 56.917 1.61646 371.7 5.0 4.9 5.8
88 0 1 5 28.608 57.217 1.6087 418.1 5.7 5.5 5.8
89 1 5 1 28.682 57.364 1.60493 164.0 2.2 2.1 5.8
90 2 2 -5 28.823 57.646 1.59775 352.4 4.8 4.6 5.8
91 3 4 1 28.875 57.75 1.59512 470.3 6.4 6.1 5.8
92 3 2 3 29.149 58.298 1.58141 414.3 5.6 5.4 5.8
93 5 2 -3 29.218 58.437 1.578 238.6 3.2 3.1 5.8
94 1 5 -2 29.357 58.714 1.57121 120.6 1.6 1.6 5.8
95 5 2 0 29.423 58.846 1.56798 605.8 8.2 7.9 5.8
96 0 5 2 29.537 59.074 1.56249 240.2 3.2 3.1 5.8
97 4 2 2 29.723 59.446 1.5536 75.0 1.0 1.0 5.8
98 5 1 -4 29.847 59.694 1.54771 455.1 6.2 5.9 5.8
99 2 2 4 30.132 60.264 1.53445 354.1 4.8 4.6 5.8
100 0 2 5 30.277 60.553 1.52781 443.4 6.0 5.8 5.8
101 4 4 -2 30.487 60.975 1.51825 137.8 1.9 1.8 5.8
102 2 5 1 30.711 61.422 1.50825 397.2 5.4 5.2 5.8
103 2 4 -4 30.89 61.78 1.50037 135.5 1.8 1.8 5.8
104 5 3 -1 30.929 61.858 1.49867 207.4 2.8 2.7 5.8
105 5 2 -4 31.475 62.95 1.47528 143.6 1.9 1.9 5.9
106 2 3 -5 31.561 63.122 1.47166 228.1 3.1 3.0 5.9
107 3 5 -1 31.623 63.245 1.4691 167.6 2.3 2.2 5.9
108 1 3 -5 31.725 63.451 1.46483 459.4 6.2 5.9 5.9
109 4 2 -5 31.772 63.544 1.46291 549.2 7.4 7.1 5.9
110 5 2 1 31.801 63.603 1.4617 354.1 4.8 4.6 5.9
111 2 4 3 31.871 63.742 1.45883 694.3 9.4 9.0 5.9
112 4 4 -3 31.92 63.841 1.45682 689.2 9.3 8.9 5.9
113 5 3 0 32.131 64.261 1.4483 539.3 7.3 7.0 5.9
114 3 5 -2 32.26 64.521 1.4431 120.3 1.6 1.6 5.9
115 2 0 -6 32.292 64.584 1.44185 445.7 6.0 5.8 5.9
116 2 5 -3 32.423 64.847 1.43663 1649.9 22.3 21.3 5.9
117 1 0 -6 32.801 65.603 1.42189 210.9 2.9 2.7 5.9
118 3 0 -6 32.834 65.668 1.42065 88.2 1.2 1.1 5.9
119 4 4 1 33.021 66.042 1.4135 397.6 5.4 5.1 5.9
120 2 5 2 33.108 66.216 1.4102 325.8 4.4 4.2 5.9
121 0 6 0 33.152 66.304 1.40855 102.8 1.4 1.3 5.9
122 6 0 0 33.19 66.38 1.40711 707.2 9.6 9.1 5.9
123 6 2 -2 33.347 66.693 1.40127 526.0 7.1 6.8 5.9
124 1 4 4 33.503 67.006 1.39549 95.6 1.3 1.2 5.9
125 5 1 2 33.637 67.273 1.39059 84.4 1.1 1.1 5.9
126 1 6 0 33.671 67.341 1.38935 191.2 2.6 2.5 5.9
127 3 5 1 33.706 67.413 1.38805 328.1 4.4 4.2 5.9
128 6 0 -4 33.767 67.533 1.38587 253.0 3.4 3.3 5.9
129 1 6 -1 33.877 67.755 1.38188 129.5 1.8 1.7 5.9
130 1 5 3 33.961 67.922 1.37887 91.5 1.2 1.2 5.9
131 6 2 -3 34.039 68.078 1.3761 213.5 2.9 2.7 5.9
132 0 0 6 34.338 68.677 1.36555 75.4 1.0 1.0 5.9
133 5 3 1 34.403 68.806 1.3633 250.6 3.4 3.2 5.9
134 1 6 1 34.556 69.112 1.35802 216.6 2.9 2.8 5.9
135 5 4 -1 34.592 69.185 1.35676 159.9 2.2 2.0 5.9
136 0 1 6 34.848 69.695 1.34807 147.0 2.0 1.9 5.9
137 3 2 -6 34.892 69.783 1.34658 725.4 9.8 9.3 5.9
138 5 2 2 35.168 70.336 1.33734 286.8 3.9 3.7 5.9
139 0 6 2 35.33 70.66 1.33201 236.4 3.2 3.0 5.9
140 4 5 0 35.721 71.442 1.31934 132.4 1.8 1.7 5.9
141 6 2 -4 35.799 71.597 1.31685 305.4 4.1 3.9 5.9
142 6 3 -2 35.892 71.785 1.31388 126.7 1.7 1.6 5.9
143 3 4 -5 36.042 72.085 1.30915 161.5 2.2 2.1 5.9
144 6 3 -1 36.285 72.57 1.30158 143.6 1.9 1.8 6.0
145 0 2 6 36.356 72.712 1.29939 124.8 1.7 1.6 6.0
146 2 6 1 36.404 72.807 1.29793 426.6 5.8 5.4 6.0
147 1 6 2 36.496 72.992 1.2951 395.6 5.3 5.0 6.0
148 3 3 4 36.701 73.403 1.28886 474.4 6.4 6.0 6.0
149 3 5 -4 36.746 73.493 1.2875 123.4 1.7 1.6 6.0
150 2 3 -6 36.88 73.76 1.2835 312.8 4.2 4.0 6.0
151 4 0 4 37.031 74.063 1.279 120.4 1.6 1.5 6.0
152 6 1 -5 37.093 74.186 1.27718 305.7 4.1 3.9 6.0
153 1 3 -6 37.36 74.72 1.26936 259.6 3.5 3.3 6.0
154 5 1 -6 37.429 74.859 1.26736 99.5 1.3 1.3 6.0
155 4 1 4 37.525 75.05 1.2646 206.7 2.8 2.6 6.0
156 5 4 -4 37.601 75.203 1.26241 137.7 1.9 1.7 6.0
157 5 3 2 37.66 75.32 1.26074 143.8 1.9 1.8 6.0
158 7 1 -2 37.729 75.457 1.25878 122.6 1.7 1.6 6.0
159 5 4 1 37.902 75.805 1.25388 92.6 1.3 1.2 6.0
160 5 1 3 37.971 75.943 1.25194 253.4 3.4 3.2 6.0
161 1 5 4 38.024 76.048 1.25047 124.1 1.7 1.6 6.0
162 7 1 -3 38.062 76.125 1.2494 348.2 4.7 4.4 6.0
163 6 3 -4 38.274 76.549 1.24354 199.8 2.7 2.5 6.0
164 6 2 -5 38.567 77.134 1.23556 106.1 1.4 1.3 6.0
165 1 4 5 38.63 77.26 1.23386 534.3 7.2 6.7 6.0
166 5 5 -1 39.061 78.122 1.22238 88.1 1.2 1.1 6.0
167 7 2 -2 39.195 78.39 1.21888 190.2 2.6 2.4 6.0
168 3 1 -7 39.271 78.542 1.2169 86.8 1.2 1.1 6.0
169 6 4 -2 39.34 78.68 1.2151 78.2 1.1 1.0 6.0
170 3 6 -3 39.463 78.926 1.21193 214.0 2.9 2.7 6.0
171 1 5 -5 39.782 79.564 1.20381 519.2 7.0 6.5 6.0
172 7 2 -1 39.897 79.794 1.20092 298.7 4.0 3.7 6.0
173 6 4 -3 39.99 79.981 1.19858 346.6 4.7 4.3 6.0
174 5 5 0 40.151 80.303 1.19458 104.7 1.4 1.3 6.0
175 6 3 1 40.182 80.365 1.19382 165.2 2.2 2.1 6.0
176 2 0 6 40.255 80.51 1.19203 126.8 1.7 1.6 6.1
177 4 6 -1 40.342 80.683 1.18991 241.4 3.3 3.0 6.1
178 3 5 -5 40.452 80.904 1.18721 121.4 1.6 1.5 6.1
179 4 6 -2 40.602 81.204 1.18359 114.3 1.5 1.4 6.1
180 5 4 -5 40.647 81.294 1.18251 358.5 4.8 4.5 6.1
181 2 1 6 40.737 81.474 1.18035 458.1 6.2 5.7 6.1
182 7 2 -4 40.88 81.76 1.17694 139.7 1.9 1.7 6.1
183 1 7 1 40.96 81.92 1.17505 100.9 1.4 1.3 6.1
184 1 3 6 41.226 82.451 1.16882 467.5 6.3 5.8 6.1
185 5 3 -6 41.315 82.629 1.16675 212.9 2.9 2.7 6.1
186 2 7 -1 41.448 82.897 1.16366 351.0 4.7 4.4 6.1
187 0 1 7 41.634 83.269 1.1594 264.7 3.6 3.3 6.1
188 2 6 3 41.839 83.678 1.15478 333.0 4.5 4.1 6.1
189 4 6 -3 41.883 83.766 1.15378 208.3 2.8 2.6 6.1
190 5 5 -4 41.961 83.923 1.15203 117.7 1.6 1.5 6.1
191 5 5 1 42.254 84.509 1.14553 242.2 3.3 3.0 6.1
192 6 2 -6 42.294 84.588 1.14465 162.2 2.2 2.0 6.1
193 2 7 -2 42.342 84.684 1.14361 228.4 3.1 2.8 6.1
194 5 1 -7 42.52 85.04 1.13973 215.1 2.9 2.7 6.1
195 1 6 4 43.327 86.655 1.12259 128.1 1.7 1.6 6.1
196 4 1 5 43.429 86.857 1.12049 89.2 1.2 1.1 6.1
197 3 7 -1 43.526 87.052 1.11848 117.2 1.6 1.4 6.1
198 6 5 -2 43.66 87.32 1.11574 102.6 1.4 1.3 6.2
199 1 7 -3 43.762 87.524 1.11366 409.0 5.5 5.0 6.2
200 3 7 0 43.966 87.933 1.10953 315.0 4.3 3.9 6.2
201 7 3 0 44.005 88.011 1.10875 245.0 3.3 3.0 6.2
202 4 6 -4 44.172 88.344 1.10543 138.9 1.9 1.7 6.2
203 4 5 3 44.226 88.452 1.10436 278.5 3.8 3.4 6.2
204 5 6 -2 44.281 88.561 1.10328 278.3 3.8 3.4 6.2
205 1 1 7 44.328 88.655 1.10235 444.0 6.0 5.4 6.2
206 2 5 -6 44.604 89.207 1.09696 177.5 2.4 2.2 6.2
207 4 2 5 44.857 89.715 1.09206 181.5 2.5 2.2 6.2
208 2 6 -5 44.9 89.799 1.09125 96.0 1.3 1.2 6.2
209 5 5 -5 44.947 89.894 1.09035 126.6 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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