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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PAVONITE
8, t-pavonite, analogue, at 523'K, DN
Cu(1.4)Ag(0.4)Bi(5.4)Se(9)
Monoclinic C 2/m Z = 2
R =0.0377 NR =1008
3 .8 .23
Ref.Str.:
Fraunhofer Ch., Paul Th., Oeckler O. (2022)
* Dalton Transactions, doi:10.1039/D2DT01651F
L: $Ag0.8 Bi10.8 Cu2.8 Se18$
R: Structure data for this sample at all temperatures
from 323'K up to 523'K see in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.7559 alpha = 90.0
b = 4.1946 beta = 99.56
c = 15.3595 gamma = 90.0
Unit cell volume (cub. angs.) = 873.94
Molar volume ( cub.cm/mol.) = 263.2
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2434 0.0 0.6221 0.0 Bi = 1.00
2 0.4514 0.0 0.1896 0.0 Bi = 0.92, Ag = 0.06
3 0.1517 0.0 0.0637 0.0 Bi = 0.79, Ag = 0.14
4 0.2434 0.0 0.6221 0.0 Bi = 1.00
5 0.4026 0.0 0.3602 0.0 Se = 1.00
6 0.7936 0.0 0.1244 0.0 Se = 1.00
7 0.1383 0.0 0.4555 0.0 Se = 1.00
8 0.0944 0.0 0.23 0.0 Se = 1.00
9 0.0 0.5 0.0 0.0 Se = 1.00
10 0.979 0.0 0.44 0.0 Cu = 0.1 , Cu = 0.0
11 0.453 0.0 0.53 0.0 Cu = 0.15, Cu = 0.0
12 0.0 0.315 0.5 0.0 Cu = 0.25, Cu = 0.0
13 0.492 0.0 0.5122 0.0 Cu = 0.14, Cu = 0.0
14 0.154 0.0 0.022 0.0 Cu = 0.07, Cu = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2434 0.0 0.6221
2 2 0.4514 0.0 0.1896
3 3 0.1517 0.0 0.0637
4 4 0.2434 0.0 0.6221
5 5 0.4026 0.0 0.3602
6 6 0.7936 0.0 0.1244
7 7 0.1383 0.0 0.4555
8 8 0.0944 0.0 0.23
9 9 0.0 0.5 0.0
10 10 0.979 0.0 0.44
11 11 0.453 0.0 0.53
12 12 0.0 0.315 0.5
13 13 0.492 0.0 0.5122
14 14 0.154 0.0 0.022
15 1 0.7566 0.0 0.3779
16 2 0.5486 0.0 0.8104
17 3 0.8483 0.0 0.9363
18 4 0.7566 0.0 0.3779
19 5 0.5974 0.0 0.6398
20 6 0.2064 0.0 0.8756
21 7 0.8617 0.0 0.5445
22 8 0.9056 0.0 0.77
23 10 0.021 0.0 0.56
24 11 0.547 0.0 0.47
25 12 0.0 0.685 0.5
26 13 0.508 0.0 0.4878
27 14 0.846 0.0 0.978
28 1 0.7434 0.5 0.6221
29 2 0.9514 0.5 0.1896
30 3 0.6517 0.5 0.0637
31 4 0.7434 0.5 0.6221
32 5 0.9026 0.5 0.3602
33 6 0.2936 0.5 0.1244
34 7 0.6383 0.5 0.4555
35 8 0.5944 0.5 0.23
36 9 0.5 0.0 0.0
37 10 0.479 0.5 0.44
38 11 0.953 0.5 0.53
39 12 0.5 0.185 0.5
40 13 0.992 0.5 0.5122
41 14 0.654 0.5 0.022
42 1 0.2566 0.5 0.3779
43 2 0.0486 0.5 0.8104
44 3 0.3483 0.5 0.9363
45 4 0.2566 0.5 0.3779
46 5 0.0974 0.5 0.6398
47 6 0.7064 0.5 0.8756
48 7 0.3617 0.5 0.5445
49 8 0.4056 0.5 0.77
50 10 0.521 0.5 0.56
51 11 0.047 0.5 0.47
52 12 0.5 0.815 0.5
53 13 0.008 0.5 0.4878
54 14 0.346 0.5 0.978
X-ray density (g/cm cub.) = 9.08
MU (1/cm) = 1710.304 Mass attenuation coefficient (cm**2/g) = 188.437
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 3.756 7
2.7218 7
2.9476 5
2.9476 5
3.0185 7
3.0185 7
3.5852 8
3.5852 8
2 Bi ,Ag 3.756 6
2.8113 5
3.0644 6
3.0644 6
2.8724 8
2.8724 8
3.0938 9
3 Bi ,Ag 3.756 6
2.7946 8
3.0057 9
3.0057 9
3.1049 6
2.9106 6
2.9106 6
4 Bi 3.756 7
2.7218 7
2.9476 5
2.9476 5
3.0185 7
3.0185 7
3.5852 8
3.5852 8
5 Se 4.632 12
4.1946 5
4.1946 5
4.1387 7
4.3764 8
4.2374 6
4.2374 6
3.9341 7
3.9341 7
4.1375 8
4.1375 8
3.6409 7
3.6409 7
6 Se 4.632 12
4.1946 6
4.1946 6
4.1866 8
4.233 9
4.233 9
4.2374 5
4.2374 5
4.0003 8
4.0003 8
4.1712 9
4.3507 6
4.3507 6
7 Se 4.632 11
4.1387 5
4.1946 7
4.1946 7
3.4163 8
4.2511 7
3.9341 5
3.9341 5
3.6409 5
3.6409 5
3.7835 7
3.7835 7
8 Se 4.632 11
4.3764 5
4.1866 6
3.4163 7
4.1946 8
4.1946 8
4.1277 9
4.1277 9
4.1375 5
4.1375 5
4.0003 6
4.0003 6
9 Se 4.632 12
4.233 6
4.233 6
4.1277 8
4.1277 8
4.1946 9
4.1946 9
4.233 6
4.233 6
4.1277 8
4.1277 8
4.1712 6
4.1712 6
10 Cu ,Cu 3.492 4
2.1645 7
2.4575 7
2.5647 5
2.5647 5
11 Cu ,Cu 3.492 4
2.5849 5
2.3827 5
2.4735 7
2.4735 7
12 Cu ,Cu 3.492 4
2.5028 7
2.5028 7
2.4602 5
2.4602 5
13 Cu ,Cu 3.492 6
2.4514 5
2.2359 5
3.1287 7
3.1287 7
2.8553 7
2.8553 7
14 Cu ,Cu 3.492 6
3.4268 8
2.9602 9
2.9602 9
2.4736 6
3.0916 6
3.0916 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 0 0 1 2.915 5.83 0.033 770.29 2 182.3 6706.9
2 0 0 2 5.838 11.676 0.066 190.35 2 92.6 427.5
3 2 0 0 6.521 13.042 0.074 152.1 2 370.1 5455.8
4 2 0 -1 6.689 13.377 0.076 144.46 2 285.6 3084.8
5 2 0 1 7.581 15.161 0.086 111.97 2 433.6 5512.4
6 2 0 -2 8.008 16.016 0.09 100.11 2 74.7 146.3
7 0 0 3 8.776 17.552 0.099 82.99 2 138.8 418.9
8 2 0 2 9.472 18.944 0.107 70.93 2 324.1 1950.5
9 2 0 -3 10.045 20.089 0.113 62.83 2 369.8 2250.2
10 1 1 0 11.082 22.164 0.125 51.24 4 65.1 113.6
11 1 1 -1 11.327 22.653 0.127 48.96 4 163.4 684.9
12 1 1 1 11.609 23.217 0.131 46.51 4 196.7 942.1
13 0 0 4 11.737 23.475 0.132 45.45 2 520.0 3218.5
14 2 0 3 11.816 23.632 0.133 44.81 2 644.8 4878.5
15 1 1 -2 12.299 24.598 0.138 41.21 4 751.1 12173.6
16 2 0 -4 12.467 24.935 0.14 40.04 2 961.8 9700.5
17 1 1 2 12.817 25.634 0.144 37.78 4 368.3 2683.7
18 4 0 -1 12.966 25.932 0.146 36.87 2 494.8 2364.0
19 4 0 0 13.129 26.257 0.147 35.91 2 329.7 1022.1
20 4 0 -2 13.471 26.941 0.151 34.01 2 235.9 495.6
21 1 1 -3 13.855 27.711 0.155 32.04 4 217.3 792.3
22 4 0 1 13.938 27.875 0.156 31.64 2 207.4 356.2
23 2 0 4 14.413 28.826 0.162 29.46 2 556.0 2384.7
24 3 1 -1 14.472 28.944 0.162 29.2 4 604.4 5586.3
25 3 1 0 14.506 29.012 0.163 29.05 4 711.4 7700.1
26 1 1 3 14.549 29.097 0.163 28.87 4 387.0 2264.1
27 4 0 -3 14.579 29.158 0.163 28.75 2 178.3 239.4
28 0 0 5 14.731 29.462 0.165 28.11 2 586.7 2534.4
29 3 1 -2 15.04 30.079 0.168 26.89 4 573.5 4631.9
30 2 0 -5 15.112 30.223 0.169 26.62 2 549.6 2105.7
31 3 1 1 15.139 30.278 0.17 26.52 4 1087.2 16415.3
32 4 0 2 15.298 30.596 0.171 25.93 2 89.4 54.3
33 1 1 -4 15.839 31.678 0.177 24.06 4 119.8 180.8
34 3 1 -3 16.152 32.304 0.181 23.06 4 540.6 3530.3
35 4 0 -4 16.178 32.355 0.181 22.99 2 460.9 1278.3
36 3 1 2 16.307 32.615 0.182 22.59 4 177.6 373.1
37 1 1 4 16.657 33.314 0.186 21.58 4 37.0 15.5
38 4 0 3 17.092 34.184 0.191 20.4 2 228.4 278.6
39 2 0 5 17.17 34.34 0.192 20.2 2 659.6 2301.3
40 3 1 -4 17.718 35.435 0.198 18.86 4 248.1 607.9
41 0 0 6 17.766 35.533 0.198 18.75 2 6.7 0.2
42 2 0 -6 17.903 35.806 0.2 18.44 2 250.6 303.3
43 3 1 3 17.918 35.836 0.2 18.4 4 271.7 711.5
44 1 1 -5 18.128 36.256 0.202 17.94 4 327.7 1009.0
45 4 0 -5 18.153 36.306 0.202 17.88 2 395.8 733.6
46 1 1 5 19.038 38.076 0.212 16.1 4 890.4 6686.4
47 4 0 4 19.216 38.431 0.214 15.78 2 540.8 1208.3
48 5 1 -1 19.564 39.127 0.217 15.16 4 305.9 742.9
49 6 0 -1 19.635 39.27 0.218 15.04 2 80.0 25.2
50 3 1 -5 19.644 39.288 0.218 15.02 4 414.5 1351.6
51 5 1 0 19.763 39.527 0.219 14.82 4 105.3 86.1
52 6 0 -2 19.816 39.631 0.22 14.74 2 160.5 99.4
53 5 1 -2 19.831 39.662 0.22 14.71 4 541.0 2254.7
54 3 1 4 19.88 39.76 0.221 14.63 4 185.0 262.1
55 6 0 0 19.92 39.84 0.221 14.56 2 398.9 606.8
56 2 0 6 20.048 40.096 0.223 14.36 2 384.0 554.5
57 4 0 -6 20.416 40.831 0.226 13.79 2 31.7 3.6
58 5 1 1 20.419 40.838 0.226 13.78 4 155.7 175.1
59 6 0 -3 20.452 40.904 0.227 13.73 2 440.2 696.9
60 5 1 -3 20.551 41.101 0.228 13.59 4 652.7 3031.2
61 1 1 -6 20.644 41.288 0.229 13.45 4 644.2 2923.2
62 6 0 1 20.655 41.31 0.229 13.44 2 962.9 3261.8
63 2 0 -7 20.809 41.617 0.231 13.21 2 251.5 218.8
64 0 0 7 20.854 41.709 0.231 13.15 2 669.5 1543.3
65 5 1 2 21.496 42.992 0.238 12.29 4 527.8 1792.2
66 6 0 -4 21.51 43.02 0.238 12.27 2 803.3 2073.2
67 0 2 0 21.547 43.095 0.238 12.22 2 1419.7 6449.5
68 4 0 5 21.593 43.187 0.239 12.16 2 532.2 902.2
69 1 1 6 21.625 43.249 0.239 12.12 4 219.1 304.8
70 5 1 -4 21.685 43.37 0.24 12.05 4 785.9 3896.9
71 0 2 1 21.764 43.527 0.241 11.95 4 109.7 75.3
72 6 0 2 21.802 43.604 0.241 11.9 2 615.6 1180.9
73 3 1 -6 21.856 43.712 0.242 11.84 4 740.1 3395.3
74 3 1 5 22.12 44.24 0.244 11.52 4 280.1 473.4
75 0 2 2 22.402 44.803 0.247 11.2 4 38.6 8.7
76 2 2 0 22.608 45.217 0.25 10.97 4 337.3 653.4
77 2 2 -1 22.662 45.325 0.25 10.91 4 267.5 408.8
78 4 0 -7 22.904 45.808 0.253 10.65 2 453.2 572.7
79 6 0 -5 22.944 45.887 0.253 10.61 2 608.5 1028.5
80 5 1 3 22.947 45.893 0.253 10.6 4 886.5 4364.8
81 2 2 1 22.97 45.94 0.253 10.58 4 391.2 847.8
82 2 0 7 23.031 46.062 0.254 10.52 2 100.2 27.7
83 2 2 -2 23.129 46.258 0.255 10.42 4 96.6 50.9
84 5 1 -5 23.186 46.372 0.256 10.36 4 99.3 53.5
85 6 0 3 23.313 46.627 0.257 10.23 2 81.4 17.7
86 1 1 -7 23.34 46.68 0.257 10.2 4 612.7 2006.3
87 0 2 3 23.435 46.869 0.258 10.11 4 151.6 121.7
88 2 2 2 23.732 47.463 0.261 9.83 4 301.3 467.2
89 2 0 -8 23.818 47.636 0.262 9.75 2 646.4 1066.4
90 2 2 -3 23.99 47.981 0.264 9.59 4 275.0 379.8
91 0 0 8 24.007 48.014 0.264 9.57 2 271.6 185.0
92 4 0 6 24.176 48.352 0.266 9.42 2 455.4 511.7
93 3 1 -7 24.299 48.598 0.267 9.31 4 103.0 51.7
94 1 1 7 24.38 48.76 0.268 9.24 4 573.2 1590.5
95 3 1 6 24.587 49.174 0.27 9.07 4 667.6 2116.7
96 6 0 -6 24.704 49.407 0.271 8.97 2 205.0 98.7
97 5 1 4 24.722 49.444 0.271 8.96 4 124.6 72.9
98 0 2 4 24.825 49.65 0.273 8.87 4 470.9 1030.3
99 2 2 3 24.866 49.732 0.273 8.84 4 516.7 1235.9
100 5 1 -6 25.005 50.009 0.274 8.73 4 274.2 343.5
101 6 0 4 25.14 50.281 0.276 8.62 2 328.9 244.2
102 2 2 -4 25.215 50.431 0.277 8.56 4 777.6 2711.3
103 4 2 -1 25.492 50.984 0.279 8.35 4 395.1 682.8
104 4 0 -8 25.58 51.16 0.28 8.29 2 654.7 930.1
105 4 2 0 25.584 51.168 0.28 8.28 4 251.3 273.9
106 7 1 -1 25.666 51.332 0.281 8.22 4 452.1 880.4
107 7 1 -2 25.743 51.485 0.282 8.17 4 110.5 52.2
108 4 2 -2 25.78 51.56 0.282 8.14 4 243.3 252.3
109 7 1 0 25.968 51.935 0.284 8.01 4 118.2 58.6
110 4 2 1 26.053 52.107 0.285 7.95 4 147.5 90.5
111 2 0 8 26.116 52.233 0.286 7.9 2 447.7 414.9
112 1 1 -8 26.191 52.382 0.286 7.85 4 192.9 153.0
113 7 1 -3 26.195 52.39 0.287 7.85 4 205.7 174.0
114 2 2 4 26.338 52.677 0.288 7.75 4 430.7 753.3
115 4 2 -3 26.439 52.879 0.289 7.69 4 188.1 142.4
116 0 2 5 26.533 53.065 0.29 7.62 4 534.9 1142.2
117 7 1 1 26.638 53.277 0.291 7.56 4 238.3 224.7
118 8 0 -1 26.657 53.314 0.291 7.54 2 338.6 226.4
119 8 0 -2 26.663 53.326 0.291 7.54 2 124.7 30.7
120 6 0 -7 26.746 53.491 0.292 7.49 2 211.9 88.0
121 2 2 -5 26.769 53.538 0.292 7.47 4 489.9 939.2
122 5 1 5 26.778 53.555 0.292 7.47 4 1.2 0.0
123 4 2 2 26.886 53.772 0.294 7.4 4 46.7 8.5
124 2 0 -9 26.931 53.861 0.294 7.37 2 373.8 269.7
125 4 0 7 26.934 53.869 0.294 7.37 2 362.6 253.6
126 3 1 -8 26.939 53.878 0.294 7.36 4 71.6 19.8
127 7 1 -4 27.01 54.02 0.295 7.32 4 23.5 2.1
128 8 0 0 27.019 54.037 0.295 7.32 2 427.0 349.3
129 8 0 -3 27.037 54.073 0.295 7.3 2 1063.8 2164.3
130 5 1 -7 27.098 54.196 0.296 7.27 4 333.7 423.8
131 0 0 9 27.239 54.479 0.297 7.18 2 365.0 250.5
132 6 0 5 27.241 54.482 0.297 7.18 2 493.3 457.6
133 3 1 7 27.248 54.496 0.297 7.18 4 445.3 745.3
134 1 1 8 27.285 54.57 0.298 7.15 4 220.5 182.2
135 4 2 -4 27.451 54.903 0.299 7.06 4 430.1 683.6
136 7 1 2 27.66 55.319 0.301 6.94 4 312.6 354.9
137 8 0 1 27.738 55.477 0.302 6.89 2 524.8 497.0
138 8 0 -4 27.768 55.536 0.302 6.87 2 47.7 4.1
139 4 2 3 28.06 56.12 0.305 6.71 4 229.2 184.6
140 2 2 5 28.113 56.226 0.306 6.68 4 533.5 996.3
141 7 1 -5 28.166 56.332 0.306 6.66 4 328.8 376.8
142 4 0 -9 28.423 56.846 0.309 6.52 2 16.0 0.4
143 0 2 6 28.522 57.043 0.31 6.47 4 39.9 5.4
144 2 2 -6 28.616 57.233 0.311 6.42 4 183.7 113.5
145 4 2 -5 28.791 57.582 0.313 6.33 4 378.9 476.2
146 8 0 2 28.798 57.597 0.313 6.33 2 455.8 344.3
147 8 0 -5 28.839 57.678 0.313 6.31 2 189.0 59.0
148 7 1 3 29.007 58.014 0.315 6.23 4 406.6 539.2
149 6 0 -8 29.036 58.071 0.315 6.21 2 534.6 465.0
150 5 1 6 29.08 58.16 0.315 6.19 4 303.7 299.1
151 1 1 -9 29.187 58.373 0.317 6.14 4 298.5 286.5
152 2 0 9 29.311 58.622 0.318 6.08 2 365.4 212.6
153 5 1 -8 29.434 58.868 0.319 6.03 4 128.5 52.1
154 4 2 4 29.549 59.098 0.32 5.97 4 507.1 804.3
155 6 0 6 29.583 59.166 0.32 5.96 2 146.5 33.5
156 7 1 -6 29.638 59.276 0.321 5.93 4 504.9 792.0
157 3 1 -9 29.757 59.514 0.322 5.88 4 353.8 385.3
158 6 2 -1 29.854 59.709 0.323 5.84 4 104.5 33.4
159 4 0 8 29.855 59.711 0.323 5.84 2 559.0 477.6
160 6 2 -2 29.987 59.974 0.324 5.78 4 105.6 33.8
161 6 2 0 30.064 60.129 0.325 5.75 4 382.7 440.6
162 3 1 8 30.085 60.171 0.325 5.74 4 286.9 247.4
163 2 0 -10 30.155 60.31 0.326 5.71 2 156.8 36.7
164 2 2 6 30.159 60.318 0.326 5.71 4 301.6 271.9
165 8 0 3 30.176 60.353 0.326 5.7 2 87.4 11.4
166 8 0 -6 30.227 60.454 0.327 5.68 2 59.7 5.3
167 1 1 9 30.335 60.669 0.328 5.63 4 381.2 428.5
168 4 2 -6 30.433 60.865 0.329 5.59 4 61.6 11.1
169 6 2 -3 30.46 60.92 0.329 5.58 4 351.8 361.8
170 0 0 10 30.568 61.136 0.33 5.54 2 11.1 0.2
171 6 2 1 30.612 61.225 0.331 5.52 4 877.4 2225.3
172 7 1 4 30.655 61.31 0.331 5.5 4 217.1 135.8
173 2 2 -7 30.728 61.457 0.332 5.47 4 254.7 185.9
174 0 2 7 30.763 61.526 0.332 5.46 4 555.3 881.6
175 6 2 -4 31.263 62.527 0.337 5.27 4 673.4 1251.3
176 4 2 5 31.327 62.655 0.337 5.24 4 503.6 696.6
177 7 1 -7 31.4 62.8 0.338 5.22 4 291.4 232.0
178 4 0 -10 31.426 62.853 0.338 5.21 2 736.3 739.4
179 6 2 2 31.489 62.977 0.339 5.19 4 505.4 693.7
180 6 0 -9 31.55 63.1 0.34 5.16 2 316.6 135.6
181 5 1 7 31.605 63.21 0.34 5.14 4 423.6 483.3
182 8 0 4 31.849 63.698 0.343 5.06 2 624.4 516.4
183 8 0 -7 31.909 63.818 0.343 5.04 2 342.1 154.4
184 5 1 -9 31.991 63.981 0.344 5.01 4 561.2 826.3
185 6 0 7 32.146 64.291 0.345 4.96 2 413.8 222.3
186 1 1 -10 32.329 64.658 0.347 4.9 4 104.9 28.2
187 4 2 -7 32.352 64.704 0.347 4.89 4 370.1 350.7
188 6 2 -5 32.384 64.768 0.348 4.88 4 504.8 651.0
189 2 2 7 32.453 64.906 0.348 4.86 4 124.0 39.1
190 9 1 -2 32.456 64.911 0.348 4.85 4 325.4 269.3
191 9 1 -1 32.511 65.022 0.349 4.84 4 320.6 260.4
192 7 1 5 32.58 65.16 0.35 4.82 4 193.5 94.5
193 2 0 10 32.628 65.256 0.35 4.8 2 113.8 16.3
194 6 2 3 32.678 65.357 0.35 4.78 4 40.7 4.1
195 9 1 -3 32.727 65.454 0.351 4.77 4 327.4 267.8
196 3 1 -10 32.747 65.494 0.351 4.76 4 479.5 573.4
197 9 1 0 32.892 65.784 0.353 4.72 4 216.7 116.0
198 4 0 9 32.937 65.873 0.353 4.7 2 602.1 446.5
199 2 2 -8 33.084 66.167 0.354 4.66 4 607.1 899.3
200 3 1 9 33.094 66.189 0.354 4.66 4 141.3 48.7
201 0 2 8 33.237 66.474 0.356 4.61 4 207.5 104.0
202 9 1 -4 33.321 66.642 0.357 4.59 4 107.6 27.8
203 4 2 6 33.374 66.748 0.357 4.57 4 371.0 329.7
204 7 1 -8 33.431 66.863 0.358 4.56 4 409.1 399.5
205 2 0 -11 33.507 67.014 0.358 4.54 2 284.4 96.0
206 1 1 10 33.534 67.067 0.359 4.53 4 486.6 561.4
207 9 1 1 33.593 67.186 0.359 4.51 4 77.7 14.3
208 1 3 0 33.63 67.26 0.359 4.5 4 26.1 1.6
209 1 3 -1 33.731 67.462 0.36 4.47 4 149.4 52.3
210 8 0 5 33.796 67.592 0.361 4.45 2 213.7 53.3
211 6 2 -6 33.805 67.61 0.361 4.45 4 217.8 110.6
212 1 3 1 33.85 67.7 0.362 4.44 4 127.1 37.5
213 8 0 -8 33.865 67.729 0.362 4.44 2 492.3 281.5
214 0 0 11 34.016 68.031 0.363 4.39 2 402.6 186.5
215 10 0 -2 34.057 68.113 0.364 4.38 2 15.4 0.3
216 1 3 -2 34.152 68.303 0.364 4.36 4 601.4 825.5
217 6 2 4 34.165 68.331 0.365 4.35 4 262.4 157.0
218 10 0 -1 34.17 68.34 0.365 4.35 2 45.4 2.3
219 9 1 -5 34.229 68.457 0.365 4.34 4 666.1 1008.1
220 10 0 -3 34.263 68.525 0.365 4.33 2 190.0 40.9
221 6 0 -10 34.276 68.551 0.366 4.33 2 53.5 3.2
222 5 1 8 34.341 68.683 0.366 4.31 4 155.8 54.8
223 1 3 2 34.388 68.776 0.367 4.3 4 259.7 151.7
224 4 2 -8 34.531 69.061 0.368 4.26 4 552.9 682.0
225 4 0 -11 34.593 69.187 0.369 4.24 2 381.9 162.1
226 10 0 0 34.6 69.201 0.369 4.24 2 543.6 328.3
227 9 1 2 34.605 69.209 0.369 4.24 4 909.6 1838.1
228 5 1 -10 34.757 69.514 0.37 4.2 4 379.7 317.4
229 7 1 6 34.764 69.528 0.37 4.2 4 581.9 745.3
230 10 0 -4 34.785 69.57 0.37 4.2 2 310.1 105.7
231 1 3 -3 34.886 69.772 0.371 4.17 4 180.8 71.4
232 6 0 8 34.919 69.837 0.372 4.16 2 606.7 401.4
233 2 2 8 34.98 69.96 0.372 4.15 4 434.5 410.2
234 3 3 -1 35.197 70.395 0.374 4.1 4 430.7 398.1
235 3 3 0 35.215 70.43 0.374 4.09 4 510.5 558.8
236 1 3 3 35.237 70.474 0.375 4.09 4 279.9 167.8
237 10 0 1 35.343 70.687 0.375 4.06 2 290.5 89.8
238 8 2 -1 35.437 70.873 0.376 4.04 4 272.1 156.7
239 9 1 -6 35.44 70.879 0.376 4.04 4 391.4 324.3
240 8 2 -2 35.442 70.884 0.376 4.04 4 79.5 13.4
241 3 3 -2 35.494 70.987 0.377 4.03 4 411.0 356.4
242 6 2 -7 35.512 71.024 0.377 4.03 4 220.0 102.0
243 3 3 1 35.547 71.093 0.377 4.02 4 849.5 1518.7
244 10 0 -5 35.617 71.234 0.378 4.0 2 231.6 56.2
245 1 1 -11 35.629 71.258 0.378 4.0 4 832.7 1452.6
246 2 2 -9 35.67 71.339 0.379 3.99 4 367.7 282.5
247 4 2 7 35.673 71.346 0.379 3.99 4 353.7 261.4
248 7 1 -9 35.716 71.432 0.379 3.98 4 224.2 104.7
249 8 2 0 35.745 71.489 0.379 3.97 4 351.3 256.8
250 8 2 -3 35.76 71.52 0.379 3.97 4 983.9 2013.3
251 3 1 -11 35.912 71.825 0.381 3.94 4 285.1 167.7
252 9 1 3 35.915 71.831 0.381 3.94 4 181.8 68.2
253 1 3 -4 35.926 71.853 0.381 3.94 4 115.7 27.6
254 0 2 9 35.933 71.867 0.381 3.93 4 299.3 184.6
255 6 2 5 35.935 71.869 0.381 3.93 4 412.6 350.6
256 8 0 6 36.002 72.004 0.382 3.92 2 163.4 27.4
257 8 0 -9 36.079 72.158 0.382 3.9 2 20.8 0.4
258 2 0 11 36.088 72.176 0.382 3.9 2 237.1 57.4
259 3 3 -3 36.101 72.202 0.382 3.9 4 389.8 310.2
260 4 0 10 36.187 72.374 0.383 3.88 2 140.8 20.1
261 3 3 2 36.188 72.377 0.383 3.88 4 166.2 56.2
262 3 1 10 36.281 72.561 0.384 3.86 4 460.8 429.3
263 8 2 1 36.362 72.725 0.385 3.84 4 439.9 389.5
264 1 3 4 36.388 72.776 0.385 3.84 4 9.8 0.2
265 8 2 -4 36.388 72.776 0.385 3.84 4 9.5 0.2
266 10 0 2 36.39 72.78 0.385 3.84 2 144.2 20.9
267 10 0 -6 36.751 73.502 0.388 3.77 2 125.6 15.6
268 1 1 11 36.897 73.793 0.39 3.74 4 221.4 96.0
269 9 1 -7 36.942 73.884 0.39 3.73 4 447.7 391.7
270 4 2 -9 36.956 73.912 0.39 3.73 4 16.6 0.5
271 2 0 -12 37.008 74.016 0.391 3.72 2 100.0 9.7
272 3 3 -4 37.013 74.025 0.391 3.72 4 166.4 53.9
273 3 3 3 37.134 74.268 0.392 3.69 4 238.9 110.4
274 7 1 7 37.195 74.39 0.392 3.68 4 73.6 10.4
275 6 0 -11 37.211 74.422 0.393 3.68 2 395.4 150.7
276 1 3 -5 37.262 74.525 0.393 3.67 4 230.9 102.5
277 8 2 2 37.284 74.568 0.393 3.67 4 378.9 275.7
278 5 1 9 37.287 74.573 0.393 3.67 4 272.6 142.7
279 8 2 -5 37.319 74.639 0.394 3.66 4 202.2 78.4
280 6 2 -8 37.492 74.984 0.395 3.63 4 513.4 501.2
281 9 1 4 37.514 75.028 0.395 3.63 4 182.6 63.3
282 0 0 12 37.609 75.219 0.396 3.61 2 543.1 278.8
283 10 0 3 37.732 75.464 0.397 3.59 2 3.7 0.0
284 5 1 -11 37.733 75.467 0.397 3.59 4 15.9 0.5
285 2 2 9 37.735 75.469 0.397 3.59 4 360.7 244.5
286 1 3 5 37.831 75.662 0.398 3.57 4 721.4 973.6
287 6 0 9 37.902 75.804 0.399 3.56 2 81.0 6.1
288 4 0 -12 37.938 75.876 0.399 3.55 2 498.2 231.0
289 6 2 6 37.975 75.95 0.399 3.55 4 103.0 19.7
290 5 3 -1 38.169 76.338 0.401 3.52 4 265.8 130.1
291 10 0 -7 38.177 76.354 0.401 3.52 2 584.7 314.7
292 4 2 8 38.216 76.432 0.402 3.51 4 474.6 414.0
293 3 3 -5 38.221 76.443 0.402 3.51 4 353.6 229.7
294 7 1 -10 38.246 76.493 0.402 3.5 4 752.2 1038.3
295 5 3 0 38.299 76.598 0.402 3.5 4 107.4 21.1
296 5 3 -2 38.344 76.687 0.403 3.49 4 453.8 376.2
297 3 3 4 38.376 76.752 0.403 3.48 4 171.1 53.4
298 8 0 7 38.459 76.917 0.404 3.47 2 101.1 9.3
299 2 2 -10 38.483 76.966 0.404 3.47 4 110.8 22.3
300 8 2 3 38.502 77.004 0.404 3.46 4 46.6 3.9
301 8 0 -10 38.544 77.087 0.404 3.46 2 344.7 107.6
302 8 2 -6 38.547 77.094 0.405 3.46 4 84.0 12.8
303 9 1 -8 38.726 77.452 0.406 3.43 4 27.4 1.3
304 5 3 1 38.733 77.467 0.406 3.43 4 100.2 18.0
305 5 3 -3 38.822 77.643 0.407 3.42 4 542.0 525.5
306 0 2 10 38.852 77.705 0.407 3.41 4 18.8 0.6
307 1 3 -6 38.885 77.77 0.407 3.41 4 488.9 426.3
308 1 1 -12 39.107 78.214 0.409 3.37 4 48.0 4.1
309 3 1 -12 39.269 78.539 0.411 3.35 4 136.7 32.8
310 10 0 4 39.36 78.721 0.412 3.34 2 328.2 94.2
311 9 1 5 39.391 78.783 0.412 3.33 4 88.7 13.8
312 5 3 2 39.468 78.936 0.413 3.32 4 399.2 277.4
313 1 3 6 39.558 79.116 0.413 3.31 4 144.4 36.2
314 5 3 -4 39.6 79.2 0.414 3.31 4 599.8 622.9
315 4 2 -10 39.626 79.251 0.414 3.3 4 635.0 697.4
316 4 0 11 39.626 79.251 0.414 3.3 2 108.4 10.2
317 3 1 11 39.661 79.321 0.414 3.3 4 459.6 364.9
318 2 0 12 39.719 79.439 0.415 3.29 2 867.2 648.1
319 3 3 -6 39.72 79.44 0.415 3.29 4 617.3 656.7
320 6 2 -9 39.738 79.475 0.415 3.29 4 318.5 174.7
321 7 1 8 39.872 79.743 0.416 3.27 4 706.0 853.9
322 10 0 -8 39.887 79.775 0.416 3.27 2 201.6 34.8
323 3 3 5 39.906 79.813 0.416 3.27 4 201.1 69.2
324 11 1 -2 39.997 79.995 0.417 3.26 4 952.5 1546.5
325 8 2 4 40.009 80.019 0.417 3.25 4 598.5 610.3
326 8 2 -7 40.064 80.128 0.418 3.25 4 281.9 135.2
327 11 1 -3 40.136 80.272 0.418 3.24 4 305.0 157.7
328 11 1 -1 40.16 80.32 0.419 3.23 4 335.7 190.9
329 6 2 7 40.28 80.56 0.42 3.22 4 404.8 276.3
330 6 0 -12 40.365 80.73 0.42 3.21 2 404.6 137.6
331 1 1 12 40.448 80.897 0.421 3.2 4 77.0 9.9
332 5 1 10 40.451 80.902 0.421 3.2 4 481.4 388.4
333 5 3 3 40.5 81.0 0.422 3.19 4 689.2 794.7
334 11 1 -4 40.574 81.149 0.422 3.19 4 125.3 26.2
335 11 1 0 40.622 81.244 0.423 3.18 4 197.2 64.7
336 5 3 -5 40.674 81.349 0.423 3.17 4 98.4 16.1
337 2 0 -13 40.69 81.379 0.423 3.17 2 523.8 227.9
338 2 2 10 40.722 81.444 0.423 3.17 4 73.9 9.1
339 9 1 -9 40.785 81.571 0.424 3.16 4 346.9 199.3
340 1 3 -7 40.787 81.575 0.424 3.16 4 470.3 366.3
341 5 1 -12 40.931 81.862 0.425 3.15 4 203.1 68.0
342 4 2 9 41.006 82.011 0.426 3.14 4 518.6 441.9
343 7 1 -11 41.023 82.046 0.426 3.14 4 484.9 386.2
344 6 0 10 41.108 82.215 0.427 3.13 2 255.4 53.4
345 8 0 8 41.166 82.333 0.427 3.12 2 469.7 180.3
346 8 0 -11 41.26 82.52 0.428 3.11 2 133.9 14.6
347 10 0 5 41.269 82.539 0.428 3.11 2 465.0 176.0
348 11 1 -5 41.311 82.622 0.429 3.11 4 247.5 99.7
349 11 1 1 41.382 82.765 0.429 3.1 4 62.4 6.3
350 0 0 13 41.386 82.773 0.429 3.1 2 309.1 77.5
351 4 0 -13 41.485 82.97 0.43 3.09 2 141.5 16.2
352 3 3 -7 41.503 83.005 0.43 3.09 4 103.7 17.4
353 2 2 -11 41.533 83.066 0.43 3.08 4 230.8 86.0
354 9 1 6 41.543 83.087 0.43 3.08 4 493.1 392.4
355 1 3 7 41.564 83.128 0.431 3.08 4 487.9 383.9
356 3 3 6 41.721 83.442 0.432 3.06 4 519.8 433.6
357 8 2 5 41.801 83.603 0.433 3.06 4 222.7 79.4
358 5 3 4 41.824 83.648 0.433 3.05 4 70.8 8.0
359 8 2 -8 41.865 83.73 0.433 3.05 4 421.2 283.4
360 10 0 -9 41.878 83.756 0.433 3.05 2 523.1 218.5
361 0 2 11 42.006 84.012 0.434 3.04 4 396.4 250.0
362 5 3 -6 42.041 84.082 0.435 3.03 4 204.5 66.5
363 10 2 -2 42.044 84.088 0.435 3.03 4 41.2 2.7
364 10 2 -1 42.15 84.3 0.436 3.02 4 12.9 0.3
365 12 0 -2 42.226 84.452 0.436 3.02 2 18.0 0.3
366 10 2 -3 42.236 84.473 0.436 3.02 4 145.7 33.6
367 6 2 -10 42.249 84.497 0.436 3.02 4 20.3 0.6
368 12 0 -3 42.308 84.615 0.437 3.01 2 326.1 83.8
369 11 1 -6 42.343 84.686 0.437 3.01 4 411.1 266.2
370 11 1 2 42.438 84.875 0.438 3.0 4 216.8 73.8
371 12 0 -1 42.442 84.883 0.438 3.0 2 112.8 10.0
372 4 2 -11 42.546 85.092 0.439 2.99 4 378.4 224.2
373 10 2 0 42.553 85.106 0.439 2.99 4 528.4 437.3
374 7 3 -1 42.555 85.109 0.439 2.99 4 354.7 197.0
375 7 3 -2 42.615 85.23 0.439 2.98 4 70.7 7.8
376 12 0 -4 42.687 85.374 0.44 2.98 2 472.0 173.8
377 10 2 -4 42.726 85.452 0.44 2.98 4 256.0 102.1
378 7 3 0 42.792 85.584 0.441 2.97 4 120.1 22.5
379 1 1 -13 42.796 85.592 0.441 2.97 4 383.4 228.6
380 7 1 9 42.801 85.601 0.441 2.97 4 30.8 1.5
381 3 1 -13 42.845 85.691 0.441 2.97 4 408.8 259.7
382 6 2 8 42.852 85.704 0.441 2.97 4 583.2 528.2
383 12 0 0 42.955 85.909 0.442 2.96 2 280.4 60.9
384 1 3 -8 42.969 85.938 0.442 2.96 4 131.0 26.6
385 7 3 -3 42.972 85.944 0.442 2.96 4 145.9 32.9
386 9 1 -10 43.12 86.24 0.444 2.94 4 433.4 289.8
387 10 2 1 43.253 86.505 0.445 2.94 4 293.8 132.7
388 3 1 12 43.264 86.527 0.445 2.93 4 88.1 11.9
389 4 0 12 43.284 86.569 0.445 2.93 2 90.8 6.3
390 7 3 1 43.326 86.652 0.445 2.93 4 218.2 73.1
391 12 0 -5 43.363 86.725 0.446 2.93 2 41.8 1.3
392 5 3 5 43.438 86.876 0.446 2.92 4 21.7 0.7
393 10 0 6 43.459 86.918 0.446 2.92 2 291.8 65.1
394 10 2 -5 43.512 87.024 0.447 2.92 4 184.7 52.1
395 2 0 13 43.563 87.127 0.447 2.91 2 340.2 88.3
396 3 3 -8 43.569 87.137 0.447 2.91 4 85.8 11.2
397 7 3 -4 43.626 87.252 0.448 2.91 4 41.2 2.6
398 11 1 -7 43.668 87.336 0.448 2.91 4 287.8 126.0
399 5 3 -7 43.697 87.395 0.448 2.9 4 254.5 98.5
400 6 0 -13 43.76 87.519 0.449 2.9 2 61.0 2.8
401 12 0 1 43.764 87.527 0.449 2.9 2 370.9 104.4
402 11 1 3 43.786 87.573 0.449 2.9 4 432.7 284.1
403 3 3 7 43.819 87.638 0.449 2.9 4 345.1 180.7
404 1 3 8 43.85 87.699 0.45 2.89 4 204.0 63.0
405 5 1 11 43.856 87.713 0.45 2.89 4 172.5 45.1
406 8 2 6 43.877 87.755 0.45 2.89 4 180.1 49.1
407 8 2 -9 43.951 87.901 0.451 2.89 4 7.3 0.1
408 2 2 11 43.959 87.919 0.451 2.89 4 245.1 90.8
409 9 1 7 43.973 87.945 0.451 2.89 4 480.5 349.0
410 4 2 10 44.054 88.107 0.451 2.88 4 100.3 15.2
411 7 1 -12 44.059 88.119 0.451 2.88 4 49.2 3.6
412 8 0 9 44.136 88.273 0.452 2.88 2 489.7 180.6
413 10 0 -10 44.15 88.3 0.452 2.88 2 23.9 0.4
414 7 3 2 44.156 88.313 0.452 2.87 4 280.5 118.5
415 1 1 13 44.227 88.454 0.453 2.87 4 227.9 78.1
416 8 0 -12 44.239 88.478 0.453 2.87 2 446.3 149.7
417 10 2 2 44.248 88.495 0.453 2.87 4 160.5 38.7
418 12 0 -6 44.334 88.668 0.454 2.86 2 62.9 3.0
419 5 1 -13 44.374 88.749 0.454 2.86 4 281.5 118.8
420 6 0 11 44.561 89.123 0.455 2.85 2 104.0 8.1
421 7 3 -5 44.575 89.151 0.456 2.85 4 294.9 129.8
422 10 2 -6 44.593 89.186 0.456 2.85 4 143.8 30.9
423 2 0 -14 44.597 89.194 0.456 2.85 2 155.0 17.9
424 2 2 -12 44.84 89.679 0.458 2.84 4 64.1 6.1
425 12 0 2 44.868 89.736 0.458 2.84 2 265.5 52.3
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 0 0 1 2.915 5.83 15.14619 6706.9 36.2 36.8 5.5
2 0 0 2 5.838 11.676 7.5731 427.5 2.3 2.3 5.6
3 2 0 0 6.521 13.042 6.78243 5455.8 29.5 29.8 5.6
4 2 0 -1 6.689 13.377 6.61336 3084.8 16.7 16.9 5.6
5 2 0 1 7.581 15.161 5.83898 5512.4 29.8 30.1 5.6
6 0 0 3 8.776 17.552 5.04873 418.9 2.3 2.3 5.6
7 2 0 2 9.472 18.944 4.6808 1950.5 10.5 10.6 5.6
8 2 0 -3 10.045 20.089 4.41641 2250.2 12.1 12.2 5.6
9 1 1 -1 11.327 22.653 3.92195 684.9 3.7 3.7 5.6
10 1 1 1 11.609 23.217 3.82791 942.1 5.1 5.1 5.6
11 0 0 4 11.737 23.475 3.78655 3218.5 17.4 17.5 5.6
12 2 0 3 11.816 23.632 3.76168 4878.5 26.3 26.5 5.6
13 1 1 -2 12.299 24.598 3.61615 12173.6 65.7 66.0 5.6
14 2 0 -4 12.467 24.935 3.56802 9700.5 52.4 52.6 5.6
15 1 1 2 12.817 25.634 3.47231 2683.7 14.5 14.5 5.6
16 4 0 -1 12.966 25.932 3.43308 2364.0 12.8 12.8 5.6
17 4 0 0 13.129 26.257 3.39122 1022.1 5.5 5.5 5.6
18 4 0 -2 13.471 26.941 3.30668 495.6 2.7 2.7 5.6
19 1 1 -3 13.855 27.711 3.21659 792.3 4.3 4.3 5.6
20 4 0 1 13.938 27.875 3.19798 356.2 1.9 1.9 5.6
21 2 0 4 14.413 28.826 3.09467 2384.7 12.9 12.9 5.6
22 3 1 -1 14.472 28.944 3.08231 5586.3 30.2 30.2 5.6
23 3 1 0 14.506 29.012 3.07515 7700.1 41.6 41.6 5.6
24 1 1 3 14.549 29.097 3.06639 2264.1 12.2 12.2 5.6
25 4 0 -3 14.579 29.158 3.06016 239.4 1.3 1.3 5.6
26 0 0 5 14.731 29.462 3.02924 2534.4 13.7 13.7 5.6
27 3 1 -2 15.04 30.079 2.96848 4631.9 25.0 25.0 5.6
28 3 1 1 15.139 30.278 2.9494 18521.1 100.0 100.0 5.6
29 3 1 -3 16.152 32.304 2.76894 4808.6 26.0 25.9 5.6
30 3 1 2 16.307 32.615 2.74324 373.1 2.0 2.0 5.6
31 4 0 3 17.092 34.184 2.62084 278.6 1.5 1.5 5.7
32 2 0 5 17.17 34.34 2.60925 2301.3 12.4 12.4 5.7
33 3 1 -4 17.718 35.435 2.53111 607.9 3.3 3.3 5.7
34 3 1 3 17.918 35.836 2.50369 1014.8 5.5 5.5 5.7
35 1 1 -5 18.128 36.256 2.47565 1742.7 9.4 9.4 5.7
36 1 1 5 19.038 38.076 2.36142 6686.4 36.1 35.9 5.7
37 4 0 4 19.216 38.431 2.3404 1208.3 6.5 6.5 5.7
38 5 1 -1 19.564 39.127 2.30036 742.9 4.0 4.0 5.7
39 3 1 -5 19.644 39.288 2.29131 1376.8 7.4 7.4 5.7
40 5 1 -2 19.831 39.662 2.27056 2354.1 12.7 12.6 5.7
41 3 1 4 19.88 39.76 2.26518 262.1 1.4 1.4 5.7
42 6 0 0 19.92 39.84 2.26081 606.8 3.3 3.2 5.7
43 2 0 6 20.048 40.096 2.24696 554.5 3.0 3.0 5.7
44 6 0 -3 20.452 40.904 2.20445 696.9 3.8 3.7 5.7
45 5 1 -3 20.551 41.101 2.19432 3031.2 16.4 16.2 5.7
46 6 0 1 20.655 41.31 2.18371 6185.0 33.4 33.1 5.7
47 2 0 -7 20.809 41.617 2.16829 218.8 1.2 1.2 5.7
48 0 0 7 20.854 41.709 2.16374 1543.3 8.3 8.2 5.7
49 6 0 -4 21.51 43.02 2.10077 3865.4 20.9 20.6 5.7
50 0 2 0 21.547 43.095 2.0973 6449.5 34.8 34.4 5.7
51 4 0 5 21.593 43.187 2.09306 902.2 4.9 4.8 5.7
52 1 1 6 21.625 43.249 2.09016 304.8 1.6 1.6 5.7
53 5 1 -4 21.685 43.37 2.08464 3896.9 21.0 20.8 5.7
54 6 0 2 21.802 43.604 2.07398 1180.9 6.4 6.3 5.7
55 3 1 -6 21.856 43.712 2.06914 3395.3 18.3 18.1 5.7
56 3 1 5 22.12 44.24 2.04562 473.4 2.6 2.5 5.7
57 2 2 0 22.608 45.217 2.00369 653.4 3.5 3.5 5.7
58 2 2 -1 22.662 45.325 1.99918 408.8 2.2 2.2 5.7
59 4 0 -7 22.904 45.808 1.97921 572.7 3.1 3.0 5.7
60 5 1 3 22.947 45.893 1.97572 6241.2 33.7 33.2 5.7
61 1 1 -7 23.34 46.68 1.94423 2024.1 10.9 10.8 5.7
62 2 2 2 23.732 47.463 1.91396 467.2 2.5 2.5 5.7
63 2 0 -8 23.818 47.636 1.90744 1066.4 5.8 5.7 5.7
64 2 2 -3 23.99 47.981 1.89453 564.7 3.0 3.0 5.7
65 4 0 6 24.176 48.352 1.88084 511.7 2.8 2.7 5.7
66 1 1 7 24.38 48.76 1.86605 1590.5 8.6 8.4 5.7
67 3 1 6 24.587 49.174 1.8513 2116.7 11.4 11.2 5.7
68 0 2 4 24.825 49.65 1.83467 1030.3 5.6 5.5 5.7
69 2 2 3 24.866 49.732 1.83182 1235.9 6.7 6.5 5.7
70 5 1 -6 25.005 50.009 1.82232 343.5 1.9 1.8 5.7
71 6 0 4 25.14 50.281 1.81312 244.2 1.3 1.3 5.8
72 2 2 -4 25.215 50.431 1.80807 2711.3 14.6 14.3 5.8
73 4 2 -1 25.492 50.984 1.78975 682.8 3.7 3.6 5.8
74 4 0 -8 25.58 51.16 1.78401 1204.0 6.5 6.4 5.8
75 7 1 -1 25.666 51.332 1.77843 880.4 4.8 4.7 5.8
76 4 2 -2 25.78 51.56 1.7711 252.3 1.4 1.3 5.8
77 2 0 8 26.116 52.233 1.74985 414.9 2.2 2.2 5.8
78 7 1 -3 26.195 52.39 1.74498 327.0 1.8 1.7 5.8
79 2 2 4 26.338 52.677 1.73616 753.3 4.1 4.0 5.8
80 0 2 5 26.533 53.065 1.72435 1142.2 6.2 6.0 5.8
81 8 0 -1 26.657 53.314 1.7169 481.8 2.6 2.5 5.8
82 2 2 -5 26.769 53.538 1.71024 1027.2 5.5 5.4 5.8
83 2 0 -9 26.931 53.861 1.70073 543.1 2.9 2.9 5.8
84 8 0 -3 27.037 54.073 1.69456 2515.8 13.6 13.2 5.8
85 5 1 -7 27.098 54.196 1.69101 423.8 2.3 2.2 5.8
86 3 1 7 27.248 54.496 1.68242 1453.3 7.8 7.6 5.8
87 4 2 -4 27.451 54.903 1.67091 683.6 3.7 3.6 5.8
88 7 1 2 27.66 55.319 1.6593 354.9 1.9 1.9 5.8
89 8 0 1 27.738 55.477 1.65497 497.0 2.7 2.6 5.8
90 2 2 5 28.113 56.226 1.63469 996.3 5.4 5.2 5.8
91 7 1 -5 28.166 56.332 1.63185 376.8 2.0 2.0 5.8
92 4 2 -5 28.791 57.582 1.59936 820.6 4.4 4.3 5.8
93 7 1 3 29.007 58.014 1.58847 1004.2 5.4 5.3 5.8
94 5 1 6 29.08 58.16 1.58485 299.1 1.6 1.6 5.8
95 1 1 -9 29.187 58.373 1.57955 286.5 1.5 1.5 5.8
96 2 0 9 29.311 58.622 1.57344 212.6 1.1 1.1 5.8
97 4 2 4 29.549 59.098 1.56191 804.3 4.3 4.2 5.8
98 7 1 -6 29.638 59.276 1.55765 792.0 4.3 4.1 5.8
99 3 1 -9 29.757 59.514 1.55196 385.3 2.1 2.0 5.8
100 4 0 8 29.855 59.711 1.54733 511.0 2.8 2.7 5.8
101 6 2 0 30.064 60.129 1.53757 688.0 3.7 3.6 5.8
102 2 2 6 30.159 60.318 1.5332 320.0 1.7 1.7 5.8
103 1 1 9 30.335 60.669 1.52516 428.5 2.3 2.2 5.8
104 6 2 -3 30.46 60.92 1.51949 372.9 2.0 1.9 5.8
105 6 2 1 30.612 61.225 1.51264 2225.3 12.0 11.6 5.8
106 2 2 -7 30.728 61.457 1.50749 185.9 1.0 1.0 5.8
107 0 2 7 30.763 61.526 1.50596 881.6 4.8 4.6 5.8
108 6 2 -4 31.263 62.527 1.48424 1251.3 6.8 6.5 5.8
109 4 2 5 31.327 62.655 1.48151 696.6 3.8 3.6 5.8
110 4 0 -10 31.426 62.853 1.47733 971.4 5.2 5.1 5.9
111 6 2 2 31.489 62.977 1.4747 693.7 3.7 3.6 5.9
112 5 1 7 31.605 63.21 1.46983 483.3 2.6 2.5 5.9
113 8 0 4 31.849 63.698 1.45974 516.4 2.8 2.7 5.9
114 5 1 -9 31.991 63.981 1.45397 826.3 4.5 4.3 5.9
115 6 0 7 32.146 64.291 1.44769 222.3 1.2 1.2 5.9
116 4 2 -7 32.352 64.704 1.43945 379.0 2.0 2.0 5.9
117 6 2 -5 32.384 64.768 1.4382 651.0 3.5 3.4 5.9
118 9 1 -2 32.456 64.911 1.43536 308.4 1.7 1.6 5.9
119 9 1 -1 32.511 65.022 1.43319 260.4 1.4 1.3 5.9
120 3 1 -10 32.747 65.494 1.424 841.2 4.5 4.4 5.9
121 4 0 9 32.937 65.873 1.41671 446.5 2.4 2.3 5.9
122 2 2 -8 33.084 66.167 1.41112 948.0 5.1 4.9 5.9
123 4 2 6 33.374 66.748 1.40025 329.7 1.8 1.7 5.9
124 7 1 -8 33.431 66.863 1.39812 399.5 2.2 2.1 5.9
125 1 1 10 33.534 67.067 1.39436 657.5 3.5 3.4 5.9
126 8 0 -8 33.865 67.729 1.38234 319.1 1.7 1.6 5.9
127 0 0 11 34.016 68.031 1.37693 186.5 1.0 1.0 5.9
128 1 3 -2 34.152 68.303 1.37211 984.8 5.3 5.1 5.9
129 9 1 -5 34.229 68.457 1.36939 1008.1 5.4 5.2 5.9
130 4 2 -8 34.531 69.061 1.35889 682.0 3.7 3.5 5.9
131 9 1 2 34.605 69.209 1.35634 2328.5 12.6 12.0 5.9
132 7 1 6 34.764 69.528 1.35091 1168.4 6.3 6.0 5.9
133 6 0 8 34.919 69.837 1.34568 401.4 2.2 2.1 5.9
134 2 2 8 34.98 69.96 1.34361 410.2 2.2 2.1 5.9
135 3 3 0 35.215 70.43 1.33579 1124.7 6.1 5.8 5.9
136 9 1 -6 35.44 70.879 1.32843 494.5 2.7 2.5 5.9
137 3 3 -2 35.494 70.987 1.32667 458.5 2.5 2.4 5.9
138 3 3 1 35.547 71.093 1.32495 1518.7 8.2 7.8 5.9
139 1 1 -11 35.629 71.258 1.32229 1508.8 8.1 7.7 5.9
140 2 2 -9 35.67 71.339 1.32099 543.9 2.9 2.8 5.9
141 8 2 -3 35.76 71.52 1.31809 2374.8 12.8 12.2 5.9
142 6 2 5 35.935 71.869 1.31254 798.6 4.3 4.1 5.9
143 3 3 -3 36.101 72.202 1.30732 367.6 2.0 1.9 5.9
144 3 1 10 36.281 72.561 1.30172 429.3 2.3 2.2 6.0
145 8 2 1 36.362 72.725 1.29919 410.8 2.2 2.1 6.0
146 9 1 -7 36.942 73.884 1.28165 392.2 2.1 2.0 6.0
147 5 1 9 37.287 74.573 1.2715 520.9 2.8 2.7 6.0
148 6 2 -8 37.492 74.984 1.26555 564.5 3.0 2.9 6.0
149 0 0 12 37.609 75.219 1.26218 278.8 1.5 1.4 6.0
150 2 2 9 37.735 75.469 1.25862 244.5 1.3 1.2 6.0
151 1 3 5 37.831 75.662 1.25589 973.6 5.3 4.9 6.0
152 4 0 -12 37.938 75.876 1.25288 231.0 1.2 1.2 6.0
153 10 0 -7 38.177 76.354 1.24622 444.8 2.4 2.3 6.0
154 4 2 8 38.216 76.432 1.24514 643.6 3.5 3.3 6.0
155 7 1 -10 38.246 76.493 1.24431 1038.3 5.6 5.3 6.0
156 5 3 -2 38.344 76.687 1.24163 376.2 2.0 1.9 6.0
157 5 3 -3 38.822 77.643 1.22872 525.5 2.8 2.7 6.0
158 1 3 -6 38.885 77.77 1.22704 426.3 2.3 2.2 6.0
159 5 3 2 39.468 78.936 1.2118 277.4 1.5 1.4 6.0
160 4 2 -10 39.626 79.251 1.20777 1330.4 7.2 6.7 6.0
161 3 1 11 39.661 79.321 1.20688 364.9 2.0 1.8 6.0
162 3 3 -6 39.72 79.44 1.20538 1479.4 8.0 7.5 6.0
163 7 1 8 39.872 79.743 1.20156 888.7 4.8 4.5 6.0
164 11 1 -2 39.997 79.995 1.19841 2156.8 11.6 10.9 6.0
165 11 1 -1 40.16 80.32 1.19438 348.6 1.9 1.8 6.0
166 6 2 7 40.28 80.56 1.19142 276.3 1.5 1.4 6.1
167 5 1 10 40.451 80.902 1.18725 398.3 2.2 2.0 6.1
168 5 3 3 40.5 81.0 1.18606 794.7 4.3 4.0 6.1
169 2 0 -13 40.69 81.379 1.18148 244.0 1.3 1.2 6.1
170 1 3 -7 40.787 81.575 1.17914 565.5 3.1 2.8 6.1
171 4 2 9 41.006 82.011 1.17397 828.1 4.5 4.1 6.1
172 10 0 5 41.269 82.539 1.1678 190.6 1.0 1.0 6.1
173 9 1 6 41.543 83.087 1.16148 862.3 4.7 4.3 6.1
174 3 3 6 41.721 83.442 1.15744 433.6 2.3 2.2 6.1
175 8 2 -8 41.865 83.73 1.15419 501.9 2.7 2.5 6.1
176 0 2 11 42.006 84.012 1.15103 250.0 1.3 1.2 6.1
177 11 1 -6 42.343 84.686 1.14359 266.2 1.4 1.3 6.1
178 10 2 0 42.553 85.106 1.13901 858.4 4.6 4.3 6.1
179 1 1 -13 42.796 85.592 1.13378 252.6 1.4 1.3 6.1
180 6 2 8 42.852 85.704 1.13259 787.9 4.3 3.9 6.1
181 9 1 -10 43.12 86.24 1.12691 289.8 1.6 1.4 6.1
182 11 1 -7 43.668 87.336 1.11557 224.5 1.2 1.1 6.2
183 11 1 3 43.786 87.573 1.11317 391.4 2.1 1.9 6.2
184 3 3 7 43.819 87.638 1.1125 243.7 1.3 1.2 6.2
185 9 1 7 43.973 87.945 1.10941 439.9 2.4 2.2 6.2
186 8 0 9 44.136 88.273 1.10614 299.5 1.6 1.5 6.2
187 8 0 -12 44.239 88.478 1.1041 266.5 1.4 1.3 6.2
188 7 3 -5 44.575 89.151 1.09751 186.6 1.0 0.9 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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