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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ZOISITE
5, t-zoisite, analogue
Pb(2)Al(3)[Si(3)O(12)]OH
Orthorhombic P nma Z = 4
Pnma
10 .12 .12
Ref.Str.:
Dorsam G., Liebscher A., Wunder B., Franz G., Gottschalk M. (2011)
* Neues Jb. Mineral., Ah., 188, 99-110
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 16.4529 alpha = 90.0
b = 5.6432 beta = 90.0
c = 10.3631 gamma = 90.0
Unit cell volume (cub. angs.) = 962.18
Molar volume ( cub.cm/mol.) = 144.89
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1252 0.25 0.5628 0.0 Pb = 1.00
2 0.0371 0.25 0.8824 0.0 Pb = 1.00
3 0.3849 0.75 0.7023 0.0 Al = 1.00
4 0.2426 0.9952 0.8115 0.0 Al = 1.00
5 0.9089 0.25 0.6067 0.0 Si = 1.00
6 0.0814 0.75 0.7116 0.0 Si = 1.00
7 0.3323 0.25 0.5748 0.0 Si = 1.00
8 0.8601 0.4921 0.6485 0.0 O = 1.00
9 0.3893 0.488 0.5865 0.0 O = 1.00
10 0.1321 0.984 0.7588 0.0 O = 1.00
11 0.2733 0.75 0.7073 0.0 O = 1.00
12 0.261 0.25 0.6876 0.0 O = 1.00
13 0.2794 0.25 0.4394 0.0 O = 1.00
14 0.9981 0.25 0.6673 0.0 O = 1.00
15 0.9937 0.75 0.7714 0.0 O = 1.00
16 0.0818 0.75 0.5511 0.0 O = 1.00
17 0.222 0.25 0.919 0.0 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1252 0.25 0.5628
2 2 0.0371 0.25 0.8824
3 3 0.3849 0.75 0.7023
4 4 0.2426 0.9952 0.8115
5 5 0.9089 0.25 0.6067
6 6 0.0814 0.75 0.7116
7 7 0.3323 0.25 0.5748
8 8 0.8601 0.4921 0.6485
9 9 0.3893 0.488 0.5865
10 10 0.1321 0.984 0.7588
11 11 0.2733 0.75 0.7073
12 12 0.261 0.25 0.6876
13 13 0.2794 0.25 0.4394
14 14 0.9981 0.25 0.6673
15 15 0.9937 0.75 0.7714
16 16 0.0818 0.75 0.5511
17 17 0.222 0.25 0.919
18 1 0.3748 0.75 0.0628
19 2 0.4629 0.75 0.3824
20 3 0.1151 0.25 0.2023
21 4 0.2574 0.0048 0.3115
22 5 0.5911 0.75 0.1067
23 6 0.4186 0.25 0.2116
24 7 0.1677 0.75 0.0748
25 8 0.6399 0.5079 0.1485
26 9 0.1107 0.512 0.0865
27 10 0.3679 0.016 0.2588
28 11 0.2267 0.25 0.2073
29 12 0.239 0.75 0.1876
30 13 0.2206 0.75 0.9394
31 14 0.5019 0.75 0.1673
32 15 0.5063 0.25 0.2714
33 16 0.4182 0.25 0.0511
34 17 0.278 0.75 0.419
35 4 0.2574 0.4952 0.3115
36 8 0.6399 0.9921 0.1485
37 9 0.1107 0.988 0.0865
38 10 0.3679 0.484 0.2588
39 4 0.2426 0.5048 0.8115
40 8 0.8601 0.0079 0.6485
41 9 0.3893 0.012 0.5865
42 10 0.1321 0.516 0.7588
43 1 0.6252 0.25 0.9372
44 2 0.5371 0.25 0.6176
45 3 0.8849 0.75 0.7977
46 4 0.7426 0.9952 0.6885
47 5 0.4089 0.25 0.8933
48 6 0.5814 0.75 0.7884
49 7 0.8323 0.25 0.9252
50 8 0.3601 0.4921 0.8515
51 9 0.8893 0.488 0.9135
52 10 0.6321 0.984 0.7412
53 11 0.7733 0.75 0.7927
54 12 0.761 0.25 0.8124
55 13 0.7794 0.25 0.0606
56 14 0.4981 0.25 0.8327
57 15 0.4937 0.75 0.7286
58 16 0.5818 0.75 0.9489
59 17 0.722 0.25 0.581
60 1 0.8748 0.75 0.4372
61 2 0.9629 0.75 0.1176
62 3 0.6151 0.25 0.2977
63 4 0.7574 0.0048 0.1885
64 5 0.0911 0.75 0.3933
65 6 0.9186 0.25 0.2884
66 7 0.6677 0.75 0.4252
67 8 0.1399 0.5079 0.3515
68 9 0.6107 0.512 0.4135
69 10 0.8679 0.016 0.2412
70 11 0.7267 0.25 0.2927
71 12 0.739 0.75 0.3124
72 13 0.7206 0.75 0.5606
73 14 0.0019 0.75 0.3327
74 15 0.0063 0.25 0.2286
75 16 0.9182 0.25 0.4489
76 17 0.778 0.75 0.081
77 4 0.7574 0.4952 0.1885
78 8 0.1399 0.9921 0.3515
79 9 0.6107 0.988 0.4135
80 10 0.8679 0.484 0.2412
81 4 0.7426 0.5048 0.6885
82 8 0.3601 0.0079 0.8515
83 9 0.8893 0.012 0.9135
84 10 0.6321 0.516 0.7412
X-ray density (g/cm cub.) = 5.44
MU (1/cm) = 742.435 Mass attenuation coefficient (cm**2/g) = 136.425
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.192 9
2.5282 10
2.5816 12
2.8411 13
2.3549 14
2.9131 16
2.9131 16
2.5282 10
2.6404 8
2.6404 8
2 Pb 3.192 10
2.5173 10
2.3196 14
3.1296 15
3.1296 15
3.0657 17
2.8506 9
2.8506 9
2.5173 10
2.7966 9
2.7966 9
3 Al 2.364 6
1.9056 9
1.8369 11
1.9056 9
2.1622 8
1.8107 15
2.1622 8
4 Al 2.364 6
1.8994 10
1.8264 11
1.9514 12
1.8503 17
1.95 13
1.9785 8
5 Si 2.148 4
1.6428 8
1.5963 14
1.6428 8
1.6424 16
6 Si 2.148 4
1.6367 10
1.5704 15
1.6633 16
1.6367 10
7 Si 2.148 4
1.6426 9
1.6561 12
1.6512 13
1.6426 9
8 O 3.312 10
2.657 14
2.9278 15
2.9108 8
2.7324 8
2.788 9
2.528 11
2.7221 12
2.742 17
2.8663 13
2.6569 16
9 O 3.312 8
2.7195 11
2.7125 12
2.7198 13
2.9244 17
2.957 9
2.6862 9
2.788 8
2.7028 15
10 O 3.312 9
2.725 11
2.701 12
2.8307 14
2.6355 15
2.6574 16
2.6828 17
2.7142 13
3.0022 10
2.641 10
11 O 3.312 10
2.7195 9
2.725 10
2.8362 12
2.8362 12
2.5568 13
2.9887 17
2.7195 9
2.725 10
2.528 8
2.528 8
12 O 3.312 10
2.7125 9
2.701 10
2.8362 11
2.8362 11
2.5899 13
2.4824 17
2.7125 9
2.701 10
2.7221 8
2.7221 8
13 O 3.312 10
2.7198 9
2.5899 12
2.7142 10
2.5568 11
2.8296 17
2.8296 17
2.7142 10
2.7198 9
2.8663 8
2.8663 8
14 O 3.312 7
2.657 8
2.8307 10
3.0217 15
3.0217 15
2.657 8
2.8307 10
2.6174 16
15 O 3.312 9
2.9278 8
2.6355 10
3.0217 14
3.0217 14
2.7043 16
2.9278 8
2.6355 10
2.7028 9
2.7028 9
16 O 3.312 6
2.6574 10
2.7043 15
2.6574 10
2.6569 8
2.6174 14
2.6569 8
17 OH 3.36 10
2.6828 10
2.4824 12
2.9244 9
2.9887 11
2.8296 13
2.8296 13
2.9244 9
2.6828 10
2.742 8
2.742 8
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 1 5.04 10.079 0.057 256.2 4 4.8 2.5
2 2 0 0 5.373 10.745 0.061 225.14 2 152.3 1128.5
3 2 0 1 6.866 13.732 0.078 136.98 4 144.4 1234.6
4 0 0 2 8.549 17.098 0.096 87.56 2 48.6 44.6
5 0 1 1 8.941 17.883 0.101 79.86 4 255.3 2248.6
6 1 0 2 8.966 17.933 0.101 79.4 4 37.6 48.6
7 3 0 1 9.143 18.287 0.103 76.27 4 263.3 2284.0
8 1 1 1 9.342 18.683 0.105 72.98 8 136.1 1168.3
9 2 1 0 9.528 19.056 0.107 70.07 4 304.0 2798.4
10 2 0 2 10.119 20.238 0.114 61.88 4 43.0 49.3
11 2 1 1 10.454 20.908 0.118 57.84 8 135.8 922.2
12 4 0 0 10.793 21.587 0.122 54.13 2 171.4 343.6
13 4 0 1 11.624 23.247 0.131 46.38 4 168.5 568.8
14 3 0 2 11.801 23.602 0.133 44.93 4 49.4 47.4
15 1 1 2 11.957 23.914 0.134 43.72 8 96.7 353.5
16 3 1 1 12.092 24.184 0.136 42.7 8 38.0 53.3
17 2 1 2 12.855 25.71 0.144 37.54 8 153.2 761.5
18 1 0 3 13.17 26.341 0.148 35.67 4 194.2 581.2
19 4 1 0 13.399 26.798 0.15 34.39 4 170.4 431.5
20 4 0 2 13.833 27.667 0.155 32.15 4 220.7 676.5
21 2 0 3 13.996 27.991 0.157 31.36 4 198.7 535.0
22 4 1 1 14.085 28.17 0.158 30.94 8 38.8 40.3
23 5 0 1 14.218 28.435 0.159 30.33 4 335.6 1475.4
24 3 1 2 14.234 28.468 0.16 30.25 8 302.6 2393.7
25 0 1 3 15.156 30.312 0.17 26.45 4 622.3 4426.6
26 3 0 3 15.28 30.56 0.171 25.99 4 44.4 22.2
27 1 1 3 15.403 30.806 0.172 25.55 8 154.9 529.9
28 0 2 0 15.843 31.685 0.177 24.05 2 644.7 2159.5
29 4 1 2 15.981 31.962 0.179 23.6 8 46.2 43.5
30 5 0 2 16.099 32.198 0.18 23.23 4 424.6 1809.2
31 2 1 3 16.124 32.247 0.18 23.15 8 204.2 834.0
32 6 0 0 16.314 32.628 0.182 22.57 2 103.2 51.9
33 5 1 1 16.319 32.638 0.182 22.56 8 402.7 3160.1
34 1 2 1 16.665 33.33 0.186 21.55 8 26.0 12.6
35 2 2 0 16.774 33.549 0.187 21.25 4 306.2 861.0
36 6 0 1 16.892 33.784 0.189 20.93 4 128.9 150.3
37 4 0 3 16.929 33.859 0.189 20.83 4 136.2 166.8
38 3 1 3 17.265 34.529 0.193 19.96 8 228.5 900.5
39 0 0 4 17.296 34.593 0.193 19.88 2 270.9 315.2
40 2 2 1 17.339 34.678 0.193 19.77 8 147.9 374.0
41 1 0 4 17.516 35.033 0.195 19.34 4 209.2 365.6
42 5 1 2 18.003 36.007 0.201 18.21 8 249.1 976.4
43 0 2 2 18.11 36.22 0.202 17.98 4 239.8 446.7
44 2 0 4 18.162 36.325 0.202 17.86 4 215.3 357.9
45 6 1 0 18.199 36.397 0.203 17.78 4 13.0 1.3
46 1 2 2 18.322 36.643 0.204 17.52 8 162.9 401.8
47 3 2 1 18.414 36.827 0.205 17.33 8 244.5 895.5
48 6 0 2 18.531 37.062 0.206 17.09 4 51.6 19.6
49 6 1 1 18.725 37.451 0.208 16.7 8 74.5 80.0
50 4 1 3 18.76 37.519 0.209 16.64 8 165.1 391.8
51 5 0 3 18.862 37.725 0.21 16.44 4 9.0 0.6
52 2 2 2 18.944 37.888 0.211 16.28 8 86.7 105.7
53 3 0 4 19.197 38.395 0.213 15.81 4 141.4 136.6
54 1 1 4 19.298 38.596 0.215 15.63 8 79.6 85.7
55 4 2 0 19.333 38.665 0.215 15.56 4 45.0 13.6
56 7 0 1 19.636 39.272 0.218 15.04 4 192.1 239.8
57 4 2 1 19.834 39.668 0.22 14.71 8 179.3 408.7
58 2 1 4 19.894 39.789 0.221 14.61 8 82.4 85.7
59 3 2 2 19.944 39.888 0.221 14.53 8 82.1 84.5
60 6 1 2 20.236 40.472 0.225 14.06 8 141.8 244.4
61 5 1 3 20.544 41.088 0.228 13.6 8 62.4 45.8
62 4 0 4 20.572 41.143 0.228 13.56 4 116.3 79.2
63 1 2 3 20.829 41.659 0.231 13.19 8 209.8 501.3
64 3 1 4 20.856 41.713 0.231 13.15 8 182.5 378.5
65 6 0 3 21.017 42.035 0.233 12.92 4 83.1 38.6
66 7 0 2 21.092 42.183 0.234 12.82 4 337.2 629.8
67 7 1 1 21.267 42.533 0.235 12.59 8 277.1 835.2
68 4 2 2 21.278 42.557 0.236 12.57 8 162.5 286.8
69 2 2 3 21.39 42.78 0.237 12.42 8 382.1 1567.6
70 5 2 1 21.544 43.088 0.238 12.23 8 338.7 1212.0
71 8 0 0 21.996 43.992 0.243 11.67 2 377.3 358.7
72 1 0 5 21.999 43.997 0.243 11.66 4 135.0 91.9
73 4 1 4 22.145 44.291 0.245 11.49 8 193.6 372.0
74 5 0 4 22.235 44.47 0.246 11.39 4 267.5 352.0
75 3 2 3 22.299 44.598 0.246 11.31 8 5.1 0.3
76 8 0 1 22.448 44.896 0.248 11.14 4 133.2 85.5
77 2 0 5 22.536 45.071 0.249 11.05 4 243.4 282.8
78 6 1 3 22.566 45.132 0.249 11.01 8 32.9 10.3
79 7 1 2 22.636 45.272 0.25 10.94 8 157.3 233.9
80 5 2 2 22.9 45.801 0.253 10.65 8 350.7 1132.2
81 6 2 0 23.061 46.121 0.254 10.49 4 22.3 2.3
82 0 1 5 23.323 46.647 0.257 10.22 4 25.4 2.8
83 7 0 3 23.353 46.705 0.257 10.19 4 11.5 0.6
84 3 0 5 23.409 46.819 0.258 10.14 4 223.9 219.6
85 8 1 0 23.493 46.986 0.259 10.05 4 263.2 301.0
86 1 1 5 23.496 46.991 0.259 10.05 8 52.0 23.5
87 6 2 1 23.497 46.993 0.259 10.05 8 70.0 42.6
88 4 2 3 23.525 47.05 0.259 10.02 8 121.4 127.6
89 5 1 4 23.72 47.441 0.261 9.84 8 226.3 435.2
90 8 0 2 23.763 47.527 0.262 9.8 4 18.2 1.4
91 0 2 4 23.806 47.611 0.262 9.76 4 219.1 202.3
92 8 1 1 23.923 47.846 0.263 9.65 8 32.3 8.7
93 1 2 4 23.975 47.951 0.264 9.6 8 25.4 5.3
94 2 1 5 24.007 48.013 0.264 9.57 8 157.8 206.0
95 6 0 4 24.144 48.288 0.266 9.45 4 43.6 7.7
96 2 2 4 24.479 48.957 0.269 9.16 8 193.1 295.0
97 4 0 5 24.592 49.185 0.27 9.06 4 86.3 29.2
98 0 3 1 24.594 49.188 0.27 9.06 4 223.3 195.2
99 1 3 1 24.759 49.519 0.272 8.92 8 105.5 85.9
100 6 2 2 24.769 49.539 0.272 8.92 8 7.2 0.4
101 7 1 3 24.786 49.572 0.272 8.9 8 54.5 22.9
102 2 3 0 24.838 49.677 0.273 8.86 4 295.5 334.3
103 3 1 5 24.84 49.681 0.273 8.86 8 25.4 5.0
104 5 2 3 25.033 50.066 0.275 8.7 8 30.5 7.0
105 8 1 2 25.179 50.359 0.276 8.59 8 21.3 3.4
106 2 3 1 25.251 50.502 0.277 8.53 8 106.9 84.3
107 3 2 4 25.301 50.602 0.277 8.5 8 170.5 213.4
108 9 0 1 25.332 50.664 0.278 8.47 4 193.0 136.3
109 6 1 4 25.544 51.088 0.28 8.31 8 242.6 422.7
110 7 2 1 25.655 51.311 0.281 8.23 8 127.9 116.3
111 8 0 3 25.842 51.684 0.283 8.1 4 152.0 80.8
112 4 1 5 25.975 51.949 0.284 8.0 8 315.9 690.1
113 1 3 2 25.986 51.972 0.284 7.99 8 82.4 47.0
114 5 0 5 26.054 52.109 0.285 7.95 4 148.8 76.0
115 3 3 1 26.056 52.111 0.285 7.95 8 25.7 4.5
116 7 0 4 26.263 52.526 0.287 7.8 4 195.3 128.6
117 4 2 4 26.421 52.842 0.289 7.7 8 137.1 125.0
118 2 3 2 26.461 52.922 0.289 7.67 8 121.8 98.3
119 0 0 6 26.486 52.971 0.289 7.65 2 291.8 140.8
120 9 0 2 26.539 53.078 0.29 7.62 4 140.2 64.7
121 1 0 6 26.643 53.285 0.291 7.55 4 207.9 141.1
122 9 1 1 26.686 53.373 0.292 7.52 8 50.6 16.6
123 4 3 0 26.762 53.523 0.292 7.48 4 146.1 69.0
124 6 2 3 26.79 53.581 0.293 7.46 8 63.3 25.8
125 7 2 2 26.852 53.705 0.293 7.42 8 348.3 777.9
126 2 0 6 27.11 54.22 0.296 7.26 4 85.9 23.2
127 4 3 1 27.153 54.307 0.296 7.23 8 34.4 7.4
128 8 1 3 27.179 54.357 0.296 7.22 8 168.2 176.5
129 3 3 2 27.24 54.48 0.297 7.18 8 257.2 410.3
130 5 1 5 27.383 54.767 0.299 7.1 8 276.4 468.3
131 7 1 4 27.585 55.17 0.301 6.98 8 98.1 58.0
132 8 2 0 27.611 55.223 0.301 6.96 4 55.8 9.4
133 1 2 5 27.614 55.227 0.301 6.96 8 97.7 57.4
134 6 0 5 27.766 55.532 0.302 6.88 4 359.2 383.2
135 0 3 3 27.792 55.585 0.303 6.86 4 488.4 706.9
136 5 2 4 27.814 55.628 0.303 6.85 8 301.6 538.3
137 9 1 2 27.852 55.705 0.303 6.83 8 303.2 542.2
138 3 0 6 27.877 55.753 0.304 6.81 4 386.5 439.8
139 10 0 0 27.916 55.832 0.304 6.79 2 154.6 35.1
140 1 3 3 27.944 55.889 0.304 6.78 8 134.0 105.1
141 1 1 6 27.953 55.905 0.304 6.77 8 293.9 505.5
142 8 2 1 27.995 55.99 0.305 6.75 8 158.0 145.6
143 2 2 5 28.07 56.139 0.305 6.71 8 123.2 87.9
144 10 0 1 28.297 56.593 0.308 6.59 4 172.7 84.9
145 4 3 2 28.306 56.613 0.308 6.58 8 45.3 11.6
146 2 3 3 28.397 56.794 0.309 6.53 8 175.4 173.7
147 2 1 6 28.405 56.81 0.309 6.53 8 127.1 91.1
148 9 0 3 28.472 56.943 0.309 6.49 4 48.3 6.6
149 5 3 1 28.522 57.044 0.31 6.47 8 342.4 655.2
150 8 0 4 28.568 57.136 0.31 6.45 4 73.3 15.0
151 7 2 3 28.77 57.541 0.312 6.34 8 103.2 58.4
152 3 2 5 28.819 57.639 0.313 6.32 8 205.1 229.6
153 4 0 6 28.927 57.854 0.314 6.27 4 225.0 137.1
154 6 1 5 29.042 58.084 0.315 6.21 8 22.0 2.6
155 8 2 2 29.126 58.251 0.316 6.17 8 158.6 134.2
156 3 3 3 29.141 58.282 0.316 6.16 8 187.6 187.4
157 3 1 6 29.149 58.298 0.316 6.16 8 50.2 13.4
158 10 1 0 29.187 58.374 0.317 6.14 4 506.9 681.9
159 10 0 2 29.42 58.84 0.319 6.03 4 25.3 1.7
160 6 2 4 29.456 58.913 0.319 6.02 8 44.3 10.2
161 10 1 1 29.558 59.115 0.32 5.97 8 133.1 91.3
162 5 3 2 29.64 59.28 0.321 5.93 8 225.4 260.5
163 7 0 5 29.703 59.406 0.322 5.9 4 64.5 10.6
164 9 1 3 29.728 59.455 0.322 5.89 8 148.4 112.2
165 6 3 0 29.774 59.548 0.322 5.87 4 36.8 3.4
166 8 1 4 29.822 59.643 0.323 5.85 8 211.1 225.3
167 4 2 5 29.849 59.697 0.323 5.84 8 44.7 10.1
168 6 3 1 30.14 60.279 0.326 5.71 8 60.0 17.8
169 4 3 3 30.164 60.327 0.326 5.7 8 125.9 78.1
170 4 1 6 30.171 60.343 0.326 5.7 8 45.3 10.1
171 5 0 6 30.244 60.487 0.327 5.67 4 57.7 8.2
172 9 2 1 30.5 60.999 0.329 5.56 8 260.1 325.3
173 1 3 4 30.544 61.089 0.33 5.55 8 87.5 36.7
174 10 1 2 30.652 61.304 0.331 5.5 8 143.3 97.7
175 7 1 5 30.928 61.856 0.334 5.4 8 231.8 250.5
176 8 2 3 30.952 61.904 0.334 5.39 8 123.8 71.3
177 2 3 4 30.973 61.946 0.334 5.38 8 69.4 22.4
178 9 0 4 31.044 62.087 0.335 5.35 4 201.4 93.8
179 5 2 5 31.141 62.282 0.336 5.31 8 209.3 201.1
180 6 3 2 31.222 62.444 0.336 5.28 8 112.4 57.6
181 10 0 3 31.236 62.472 0.337 5.28 4 383.2 334.9
182 7 2 4 31.327 62.655 0.337 5.24 8 8.3 0.3
183 11 0 1 31.354 62.708 0.338 5.23 4 46.5 4.9
184 5 3 3 31.448 62.897 0.339 5.2 8 65.3 19.2
185 5 1 6 31.456 62.912 0.339 5.2 8 30.7 4.2
186 1 0 7 31.494 62.988 0.339 5.18 4 166.2 61.9
187 0 2 6 31.527 63.053 0.339 5.17 4 285.0 181.4
188 9 2 2 31.575 63.149 0.34 5.15 8 12.3 0.7
189 1 2 6 31.667 63.335 0.341 5.12 8 272.1 327.6
190 3 3 4 31.68 63.36 0.341 5.12 8 164.8 120.0
191 6 0 6 31.808 63.615 0.342 5.07 4 29.7 1.9
192 8 0 5 31.846 63.692 0.342 5.06 4 131.3 37.7
193 2 0 7 31.915 63.83 0.343 5.04 4 10.7 0.2
194 7 3 1 31.987 63.974 0.344 5.01 8 232.3 233.6
195 2 2 6 32.087 64.175 0.345 4.98 8 14.7 0.9
196 9 1 4 32.239 64.478 0.346 4.93 8 153.0 99.6
197 11 0 2 32.413 64.826 0.348 4.87 4 22.2 1.0
198 10 1 3 32.427 64.854 0.348 4.86 8 80.8 27.4
199 0 1 7 32.541 65.083 0.349 4.83 4 161.7 54.5
200 11 1 1 32.543 65.086 0.349 4.83 8 28.3 3.4
201 3 0 7 32.611 65.221 0.35 4.81 4 28.2 1.6
202 4 3 4 32.655 65.311 0.35 4.79 8 171.0 121.1
203 1 1 7 32.68 65.36 0.35 4.78 8 147.5 89.9
204 6 2 5 32.681 65.361 0.35 4.78 8 243.9 245.9
205 3 2 6 32.781 65.562 0.351 4.75 8 275.1 310.6
206 10 2 0 32.817 65.633 0.352 4.74 4 13.6 0.4
207 6 3 3 32.98 65.96 0.353 4.69 8 27.7 3.1
208 6 1 6 32.987 65.975 0.353 4.69 8 69.5 19.6
209 8 1 5 33.025 66.05 0.354 4.68 8 198.9 160.0
210 7 3 2 33.035 66.069 0.354 4.67 8 128.8 67.0
211 0 4 0 33.092 66.184 0.354 4.66 2 787.0 623.1
212 2 1 7 33.093 66.186 0.354 4.66 8 166.2 111.2
213 10 2 1 33.163 66.326 0.355 4.64 8 109.1 47.6
214 9 2 3 33.323 66.645 0.357 4.59 8 9.5 0.4
215 8 2 4 33.411 66.822 0.357 4.56 8 73.0 21.0
216 4 0 7 33.572 67.143 0.359 4.52 4 114.8 25.7
217 0 3 5 33.573 67.145 0.359 4.52 4 43.4 3.7
218 1 4 1 33.574 67.147 0.359 4.52 8 5.3 0.1
219 11 1 2 33.582 67.163 0.359 4.51 8 79.9 24.9
220 7 0 6 33.603 67.206 0.359 4.51 4 79.9 12.4
221 2 4 0 33.639 67.278 0.36 4.5 4 125.8 30.8
222 10 0 4 33.683 67.367 0.36 4.49 4 134.0 34.8
223 8 3 0 33.707 67.414 0.36 4.48 4 228.8 101.3
224 1 3 5 33.709 67.418 0.36 4.48 8 50.7 9.9
225 4 2 6 33.739 67.479 0.361 4.47 8 68.0 17.9
226 3 1 7 33.776 67.552 0.361 4.46 8 144.0 79.9
227 5 3 4 33.887 67.775 0.362 4.43 8 204.2 159.7
228 2 4 1 33.981 67.963 0.363 4.4 8 109.1 45.3
229 8 3 1 34.049 68.098 0.363 4.39 8 37.3 5.3
230 2 3 5 34.116 68.231 0.364 4.37 8 135.5 69.3
231 11 0 3 34.138 68.277 0.364 4.36 4 218.2 89.8
232 12 0 0 34.181 68.362 0.365 4.35 2 308.0 89.2
233 9 0 5 34.183 68.366 0.365 4.35 4 219.7 90.7
234 10 2 2 34.192 68.384 0.365 4.35 8 109.2 44.8
235 7 2 5 34.453 68.906 0.367 4.28 8 87.9 28.5
236 0 4 2 34.462 68.925 0.367 4.28 4 65.0 7.8
237 12 0 1 34.521 69.041 0.368 4.26 4 20.1 0.7
238 1 4 2 34.597 69.194 0.369 4.24 8 32.7 3.9
239 3 4 1 34.656 69.311 0.369 4.23 8 203.9 151.9
240 4 1 7 34.721 69.441 0.37 4.21 8 128.9 60.5
241 7 3 3 34.745 69.489 0.37 4.21 8 39.6 5.7
242 7 1 6 34.752 69.504 0.37 4.21 8 145.1 76.5
243 5 0 7 34.788 69.575 0.37 4.2 4 144.9 38.0
244 3 3 5 34.789 69.578 0.37 4.2 8 35.4 4.5
245 10 1 4 34.831 69.661 0.371 4.19 8 140.7 71.6
246 5 2 6 34.953 69.906 0.372 4.16 8 152.2 83.2
247 2 4 2 34.999 69.998 0.372 4.15 8 30.8 3.4
248 8 3 2 35.065 70.131 0.373 4.13 8 10.5 0.4
249 4 4 0 35.255 70.509 0.375 4.08 4 112.3 22.3
250 11 1 3 35.279 70.557 0.375 4.08 8 149.3 78.5
251 12 1 0 35.321 70.641 0.375 4.07 4 74.8 9.8
252 9 1 5 35.323 70.645 0.375 4.07 8 95.6 32.1
253 6 3 4 35.365 70.73 0.376 4.06 8 217.0 165.2
254 12 0 2 35.531 71.062 0.377 4.02 4 184.9 59.4
255 4 4 1 35.59 71.179 0.378 4.01 8 121.6 51.2
256 8 0 6 35.618 71.237 0.378 4.0 4 83.7 12.1
257 12 1 1 35.655 71.311 0.378 3.99 8 183.6 116.4
258 3 4 2 35.664 71.328 0.378 3.99 8 23.9 2.0
259 9 2 4 35.697 71.393 0.379 3.98 8 46.7 7.5
260 4 3 5 35.721 71.443 0.379 3.98 8 289.3 287.9
261 10 2 3 35.876 71.752 0.38 3.95 8 471.6 758.5
262 5 1 7 35.919 71.838 0.381 3.94 8 96.2 31.5
263 11 2 1 35.986 71.973 0.381 3.92 8 56.7 10.9
264 1 2 7 36.117 72.234 0.383 3.89 8 239.3 192.8
265 6 0 7 36.249 72.497 0.384 3.87 4 227.9 86.8
266 1 4 3 36.272 72.545 0.384 3.86 8 150.9 76.0
267 9 3 1 36.316 72.632 0.384 3.85 8 42.9 6.1
268 6 2 6 36.411 72.822 0.385 3.83 8 10.6 0.4
269 8 2 5 36.447 72.893 0.386 3.83 8 204.3 138.1
270 0 0 8 36.486 72.973 0.386 3.82 2 136.7 15.4
271 11 0 4 36.488 72.976 0.386 3.82 4 45.9 3.5
272 2 2 7 36.512 73.023 0.386 3.81 8 29.3 2.8
273 4 4 2 36.587 73.175 0.387 3.8 8 160.2 84.2
274 1 0 8 36.618 73.235 0.387 3.79 4 35.3 2.0
275 12 1 2 36.652 73.305 0.387 3.79 8 21.7 1.5
276 2 4 3 36.666 73.333 0.388 3.78 8 173.6 98.6
277 10 0 5 36.709 73.418 0.388 3.78 4 140.3 32.1
278 8 3 3 36.732 73.463 0.388 3.77 8 126.7 52.3
279 8 1 6 36.739 73.477 0.388 3.77 8 56.0 10.2
280 5 4 1 36.776 73.552 0.389 3.76 8 243.4 192.6
281 5 3 5 36.906 73.811 0.39 3.74 8 238.7 184.1
282 11 2 2 36.98 73.959 0.39 3.72 8 102.4 33.8
283 2 0 8 37.01 74.021 0.391 3.72 4 263.8 111.8
284 7 3 4 37.077 74.155 0.391 3.71 8 91.8 27.0
285 3 2 7 37.166 74.332 0.392 3.69 8 59.6 11.3
286 12 0 3 37.189 74.377 0.392 3.68 4 31.9 1.6
287 9 3 2 37.306 74.612 0.393 3.66 8 272.1 234.5
288 3 4 3 37.32 74.639 0.394 3.66 8 31.2 3.1
289 6 1 7 37.361 74.723 0.394 3.65 8 30.2 2.9
290 1 3 6 37.392 74.784 0.394 3.65 8 259.9 212.9
291 11 1 4 37.598 75.196 0.396 3.61 8 116.4 42.3
292 3 0 8 37.661 75.323 0.397 3.6 4 4.5 0.0
293 1 1 8 37.726 75.453 0.397 3.59 8 63.3 12.4
294 5 4 2 37.761 75.522 0.397 3.58 8 329.2 335.6
295 2 3 6 37.782 75.563 0.398 3.58 8 126.3 49.3
296 10 1 5 37.817 75.633 0.398 3.57 8 30.0 2.8
297 13 0 1 37.817 75.635 0.398 3.57 4 38.4 2.3
298 9 0 6 37.846 75.692 0.398 3.57 4 195.6 59.0
299 6 4 0 37.88 75.76 0.399 3.56 4 68.2 7.2
300 7 0 7 37.946 75.891 0.399 3.55 4 62.1 5.9
301 4 2 7 38.075 76.15 0.4 3.53 8 114.7 40.1
302 7 2 6 38.105 76.21 0.401 3.53 8 10.1 0.3
303 2 1 8 38.115 76.23 0.401 3.53 8 114.2 39.7
304 10 2 4 38.181 76.362 0.401 3.51 8 138.9 58.6
305 6 4 1 38.206 76.412 0.401 3.51 8 98.9 29.7
306 4 4 3 38.228 76.455 0.402 3.51 8 109.4 36.3
307 12 1 3 38.292 76.583 0.402 3.5 8 281.1 238.7
308 6 3 5 38.334 76.669 0.403 3.49 8 28.7 2.5
309 3 3 6 38.428 76.856 0.403 3.48 8 45.9 6.3
310 0 4 4 38.44 76.879 0.404 3.47 4 207.0 64.3
311 10 3 0 38.461 76.923 0.404 3.47 4 469.4 330.3
312 4 0 8 38.567 77.133 0.405 3.45 4 230.2 79.1
313 1 4 4 38.569 77.137 0.405 3.45 8 162.4 78.7
314 11 2 3 38.614 77.228 0.405 3.45 8 194.5 112.7
315 12 2 0 38.654 77.309 0.405 3.44 4 300.9 134.6
316 9 2 5 38.656 77.313 0.405 3.44 8 205.8 125.9
317 3 1 8 38.76 77.52 0.406 3.42 8 52.6 8.2
318 10 3 1 38.786 77.572 0.407 3.42 8 126.9 47.6
319 13 0 2 38.794 77.587 0.407 3.42 4 104.3 16.1
320 13 1 1 38.914 77.828 0.408 3.4 8 149.9 66.1
321 9 3 3 38.936 77.871 0.408 3.4 8 134.8 53.4
322 9 1 6 38.943 77.885 0.408 3.4 8 55.0 8.9
323 2 4 4 38.954 77.909 0.408 3.4 8 167.2 82.1
324 12 2 1 38.979 77.957 0.408 3.39 8 46.7 6.4
325 8 3 4 39.018 78.037 0.409 3.39 8 186.7 102.0
326 7 1 7 39.041 78.083 0.409 3.38 8 21.0 1.3
327 6 4 2 39.179 78.359 0.41 3.36 8 52.9 8.1
328 5 2 7 39.234 78.468 0.411 3.36 8 184.8 99.1
329 4 3 6 39.328 78.655 0.411 3.34 8 44.7 5.8
330 5 4 3 39.385 78.77 0.412 3.34 8 8.5 0.2
331 11 0 5 39.426 78.853 0.412 3.33 4 35.8 1.8
332 12 0 4 39.467 78.933 0.413 3.32 4 166.5 39.8
333 3 4 4 39.595 79.19 0.414 3.31 8 79.1 17.9
334 4 1 8 39.657 79.314 0.414 3.3 8 125.4 44.9
335 5 0 8 39.721 79.442 0.415 3.29 4 102.8 15.0
336 10 3 2 39.755 79.51 0.415 3.29 8 119.7 40.7
337 8 0 7 39.873 79.746 0.416 3.27 4 226.2 72.3
338 7 4 1 39.875 79.75 0.416 3.27 8 137.3 53.3
339 13 1 2 39.882 79.765 0.416 3.27 8 76.5 16.6
340 12 2 2 39.946 79.893 0.417 3.26 8 144.7 59.0
341 7 3 5 40.002 80.003 0.417 3.25 8 209.4 123.3
342 8 2 6 40.03 80.061 0.418 3.25 8 98.7 27.4
343 10 0 6 40.285 80.57 0.42 3.22 4 26.6 1.0
344 13 0 3 40.405 80.81 0.421 3.21 4 185.8 47.8
345 5 3 6 40.476 80.952 0.421 3.2 8 24.4 1.6
346 4 4 4 40.488 80.975 0.421 3.2 8 94.6 24.7
347 11 1 5 40.511 81.021 0.422 3.19 8 31.2 2.7
348 12 1 4 40.551 81.101 0.422 3.19 8 34.1 3.2
349 6 2 7 40.637 81.274 0.423 3.18 8 270.5 201.0
350 6 4 3 40.787 81.574 0.424 3.16 8 31.7 2.8
351 5 1 8 40.803 81.607 0.424 3.16 8 59.7 9.7
352 7 4 2 40.837 81.675 0.424 3.16 8 255.2 177.6
353 0 2 8 40.867 81.734 0.425 3.15 4 62.6 5.3
354 11 2 4 40.868 81.737 0.425 3.15 8 104.1 29.5
355 14 0 0 40.953 81.906 0.425 3.14 2 196.1 26.1
356 8 1 7 40.954 81.909 0.425 3.14 8 146.3 58.2
357 1 2 8 40.994 81.988 0.426 3.14 8 7.7 0.2
358 10 2 5 41.082 82.164 0.427 3.13 8 94.4 24.1
359 6 0 8 41.12 82.241 0.427 3.13 4 103.7 14.5
360 9 3 4 41.185 82.371 0.427 3.12 8 149.6 60.3
361 14 0 1 41.273 82.545 0.428 3.11 4 78.0 8.2
362 10 3 3 41.357 82.714 0.429 3.1 8 72.0 13.9
363 10 1 6 41.364 82.728 0.429 3.1 8 223.7 134.0
364 2 2 8 41.374 82.748 0.429 3.1 8 152.9 62.6
365 8 4 0 41.461 82.921 0.43 3.09 4 257.9 88.8
366 0 3 7 41.462 82.923 0.43 3.09 4 145.7 28.4
367 1 4 5 41.462 82.925 0.43 3.09 8 103.0 28.3
368 11 3 1 41.463 82.926 0.43 3.09 8 20.8 1.2
369 13 1 3 41.483 82.967 0.43 3.09 8 29.5 2.3
370 12 2 3 41.547 83.094 0.431 3.08 8 12.5 0.4
371 1 3 7 41.588 83.176 0.431 3.08 8 122.4 39.8
372 5 4 4 41.629 83.258 0.431 3.07 8 194.0 99.9
373 8 4 1 41.779 83.559 0.432 3.06 8 104.2 28.7
374 2 4 5 41.842 83.684 0.433 3.05 8 172.1 78.1
375 6 3 6 41.87 83.74 0.433 3.05 8 76.4 15.4
376 8 3 5 41.905 83.809 0.434 3.05 8 189.1 94.1
377 2 3 7 41.967 83.934 0.434 3.04 8 155.9 63.9
378 3 2 8 42.006 84.012 0.434 3.04 8 55.2 8.0
379 14 1 0 42.029 84.058 0.435 3.04 4 306.8 123.5
380 9 0 7 42.03 84.06 0.435 3.04 4 9.0 0.1
381 1 0 9 42.113 84.227 0.435 3.03 4 302.6 119.8
382 13 2 1 42.158 84.315 0.436 3.02 8 11.6 0.4
383 9 2 6 42.186 84.371 0.436 3.02 8 242.2 153.1
384 6 1 8 42.195 84.391 0.436 3.02 8 400.1 417.9
385 14 0 2 42.228 84.457 0.436 3.02 4 22.2 0.6
386 7 2 7 42.283 84.565 0.437 3.01 8 108.9 30.9
387 12 0 5 42.346 84.692 0.437 3.01 4 84.8 9.3
388 14 1 1 42.347 84.694 0.437 3.01 8 147.2 56.3
389 11 3 2 42.418 84.836 0.438 3.0 8 79.7 16.5
390 7 4 3 42.431 84.863 0.438 3.0 8 22.7 1.3
391 3 4 5 42.473 84.946 0.438 3.0 8 178.8 82.8
392 2 0 9 42.492 84.983 0.438 2.99 4 11.1 0.2
393 3 3 7 42.598 85.196 0.439 2.99 8 124.7 40.1
394 13 0 4 42.638 85.276 0.44 2.98 4 89.1 10.2
395 8 4 2 42.733 85.467 0.44 2.98 8 34.7 3.1
396 7 0 8 42.763 85.525 0.441 2.97 4 79.5 8.1
397 4 2 8 42.889 85.777 0.442 2.96 8 364.3 339.7
398 11 0 6 42.942 85.884 0.442 2.96 4 206.8 54.7
399 6 4 4 43.016 86.033 0.443 2.95 8 35.7 3.3
400 0 1 9 43.059 86.117 0.443 2.95 4 17.7 0.4
401 9 1 7 43.101 86.203 0.444 2.95 8 227.1 131.3
402 13 2 2 43.111 86.221 0.444 2.95 8 98.4 24.7
403 3 0 9 43.121 86.243 0.444 2.94 4 29.5 1.1
404 1 1 9 43.184 86.369 0.444 2.94 8 223.1 126.5
405 14 1 2 43.299 86.599 0.445 2.93 8 137.2 47.7
406 4 4 5 43.354 86.709 0.446 2.93 8 62.9 10.0
407 0 5 1 43.355 86.711 0.446 2.93 4 165.0 34.4
408 12 1 5 43.417 86.833 0.446 2.92 8 98.3 24.4
409 4 3 7 43.479 86.958 0.447 2.92 8 108.7 29.8
410 1 5 1 43.481 86.962 0.447 2.92 8 94.7 22.6
411 7 3 6 43.508 87.017 0.447 2.92 8 132.3 44.1
412 2 5 0 43.541 87.083 0.447 2.91 4 194.4 47.6
413 2 1 9 43.562 87.124 0.447 2.91 8 83.7 17.6
414 10 3 4 43.582 87.165 0.447 2.91 8 125.2 39.4
415 13 1 4 43.708 87.415 0.449 2.9 8 81.1 16.5
416 11 2 5 43.731 87.462 0.449 2.9 8 103.5 26.9
417 12 2 4 43.771 87.541 0.449 2.9 8 165.6 68.7
418 14 0 3 43.815 87.63 0.449 2.9 4 219.3 60.2
419 7 1 8 43.832 87.664 0.45 2.9 8 9.8 0.2
420 2 5 1 43.858 87.717 0.45 2.89 8 100.4 25.2
421 9 4 1 43.921 87.842 0.45 2.89 8 169.5 71.7
422 4 0 9 44.002 88.003 0.451 2.88 4 53.0 3.5
423 11 3 3 44.004 88.008 0.451 2.88 8 130.0 42.1
424 11 1 6 44.011 88.022 0.451 2.88 8 309.6 238.8
425 5 2 8 44.021 88.041 0.451 2.88 8 56.9 8.1
426 12 3 0 44.044 88.087 0.451 2.88 4 61.5 4.7
427 9 3 5 44.045 88.091 0.451 2.88 8 78.7 15.4
428 8 2 7 44.17 88.341 0.452 2.87 8 143.3 51.0
429 3 1 9 44.19 88.38 0.452 2.87 8 263.3 172.2
430 8 4 3 44.318 88.637 0.454 2.87 8 132.1 43.2
431 12 3 1 44.36 88.721 0.454 2.86 8 167.3 69.2
432 10 0 7 44.421 88.843 0.454 2.86 4 91.2 10.3
433 1 5 2 44.431 88.863 0.454 2.86 8 70.9 12.4
434 5 4 5 44.485 88.971 0.455 2.86 8 125.0 38.5
435 3 5 1 44.486 88.973 0.455 2.86 8 12.7 0.4
436 10 2 6 44.576 89.153 0.456 2.85 8 80.3 15.9
437 5 3 7 44.61 89.22 0.456 2.85 8 80.6 16.0
438 8 0 8 44.649 89.297 0.456 2.85 4 276.2 93.8
439 7 4 4 44.651 89.301 0.456 2.85 8 153.3 57.8
440 13 2 3 44.695 89.39 0.457 2.84 8 210.4 108.8
441 2 5 2 44.808 89.616 0.457 2.84 8 117.5 33.9
442 0 4 6 44.828 89.656 0.458 2.84 4 223.9 61.5
443 9 4 2 44.871 89.741 0.458 2.83 8 104.6 26.8
444 14 1 3 44.883 89.766 0.458 2.83 8 155.0 58.9
445 15 0 1 44.925 89.85 0.458 2.83 4 315.1 121.5
446 1 4 6 44.953 89.907 0.459 2.83 8 163.5 65.4
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (angs.):
No H K L Theta 2*Theta d I int I int.n. I p.h.n. H(Si)
( degree ) (angstrem) *100 *100
1 2 0 0 5.373 10.745 8.22645 1128.5 25.5 25.8 5.6
2 2 0 1 6.866 13.732 6.44315 1234.6 27.9 28.2 5.6
3 0 0 2 8.549 17.098 5.18155 44.6 1.0 1.0 5.6
4 0 1 1 8.941 17.883 4.95603 2297.2 51.9 52.4 5.6
5 3 0 1 9.143 18.287 4.84735 2284.0 51.6 52.1 5.6
6 1 1 1 9.342 18.683 4.74541 1168.3 26.4 26.6 5.6
7 2 1 0 9.528 19.056 4.65353 2798.4 63.2 63.8 5.6
8 2 0 2 10.119 20.238 4.38433 49.3 1.1 1.1 5.6
9 2 1 1 10.454 20.908 4.24516 922.2 20.8 21.0 5.6
10 4 0 0 10.793 21.587 4.11322 343.6 7.8 7.8 5.6
11 4 0 1 11.624 23.247 3.82309 568.8 12.9 12.9 5.6
12 3 0 2 11.801 23.602 3.76639 47.4 1.1 1.1 5.6
13 1 1 2 11.957 23.914 3.71797 353.5 8.0 8.0 5.6
14 3 1 1 12.092 24.184 3.67706 53.3 1.2 1.2 5.6
15 2 1 2 12.855 25.71 3.46222 761.5 17.2 17.3 5.6
16 1 0 3 13.17 26.341 3.38066 581.2 13.1 13.2 5.6
17 4 1 0 13.399 26.798 3.32397 431.5 9.7 9.8 5.6
18 4 0 2 13.833 27.667 3.22158 676.5 15.3 15.3 5.6
19 2 0 3 13.996 27.991 3.18497 535.0 12.1 12.1 5.6
20 3 1 2 14.234 28.468 3.13274 3869.1 87.4 87.5 5.6
21 0 1 3 15.156 30.312 2.94621 4426.6 100.0 100.0 5.6
22 1 1 3 15.403 30.806 2.90008 529.9 12.0 12.0 5.6
23 0 2 0 15.843 31.685 2.8216 2159.5 48.8 48.7 5.6
24 5 0 2 16.099 32.198 2.77778 2643.2 59.7 59.6 5.6
25 5 1 1 16.319 32.638 2.74135 3212.0 72.6 72.4 5.6
26 2 2 0 16.774 33.549 2.66897 861.0 19.5 19.4 5.7
27 6 0 1 16.892 33.784 2.65092 150.3 3.4 3.4 5.7
28 4 0 3 16.929 33.859 2.64526 166.8 3.8 3.8 5.7
29 3 1 3 17.265 34.529 2.59541 900.5 20.3 20.3 5.7
30 0 0 4 17.296 34.593 2.59078 315.2 7.1 7.1 5.7
31 2 2 1 17.339 34.678 2.58463 374.0 8.4 8.4 5.7
32 1 0 4 17.516 35.033 2.55924 365.6 8.3 8.2 5.7
33 5 1 2 18.003 36.007 2.49221 976.4 22.1 21.9 5.7
34 0 2 2 18.11 36.22 2.47801 446.7 10.1 10.0 5.7
35 2 0 4 18.162 36.325 2.47113 357.9 8.1 8.0 5.7
36 1 2 2 18.322 36.643 2.45038 401.8 9.1 9.0 5.7
37 3 2 1 18.414 36.827 2.43856 895.5 20.2 20.1 5.7
38 6 1 1 18.725 37.451 2.39937 80.0 1.8 1.8 5.7
39 4 1 3 18.76 37.519 2.39517 391.8 8.9 8.8 5.7
40 2 2 2 18.944 37.888 2.37271 105.7 2.4 2.4 5.7
41 3 0 4 19.197 38.395 2.34255 136.6 3.1 3.1 5.7
42 1 1 4 19.298 38.596 2.33076 85.7 1.9 1.9 5.7
43 7 0 1 19.636 39.272 2.2922 239.8 5.4 5.4 5.7
44 4 2 1 19.834 39.668 2.27024 408.7 9.2 9.2 5.7
45 2 1 4 19.894 39.789 2.26361 85.7 1.9 1.9 5.7
46 3 2 2 19.944 39.888 2.2582 84.5 1.9 1.9 5.7
47 6 1 2 20.236 40.472 2.22697 244.4 5.5 5.5 5.7
48 4 0 4 20.572 41.143 2.19217 125.0 2.8 2.8 5.7
49 1 2 3 20.829 41.659 2.16623 879.8 19.9 19.7 5.7
50 7 0 2 21.092 42.183 2.14049 629.8 14.2 14.1 5.7
51 7 1 1 21.267 42.533 2.12369 1122.0 25.3 25.1 5.7
52 2 2 3 21.39 42.78 2.11201 1567.6 35.4 35.0 5.7
53 5 2 1 21.544 43.088 2.09763 1212.0 27.4 27.1 5.7
54 8 0 0 21.996 43.992 2.05661 450.7 10.2 10.0 5.7
55 4 1 4 22.145 44.291 2.0434 372.0 8.4 8.3 5.7
56 5 0 4 22.235 44.47 2.03557 352.0 8.0 7.8 5.7
57 8 0 1 22.448 44.896 2.01727 85.5 1.9 1.9 5.7
58 2 0 5 22.536 45.071 2.00981 282.8 6.4 6.3 5.7
59 7 1 2 22.636 45.272 2.00136 233.9 5.3 5.2 5.7
60 5 2 2 22.9 45.801 1.9795 1132.2 25.6 25.2 5.7
61 3 0 5 23.409 46.819 1.93879 219.6 5.0 4.9 5.7
62 8 1 0 23.493 46.986 1.93229 367.1 8.3 8.2 5.7
63 4 2 3 23.525 47.05 1.92981 127.6 2.9 2.8 5.7
64 5 1 4 23.72 47.441 1.91481 435.2 9.8 9.7 5.7
65 0 2 4 23.806 47.611 1.90835 202.3 4.6 4.5 5.7
66 2 1 5 24.007 48.013 1.89332 206.0 4.7 4.6 5.7
67 2 2 4 24.479 48.957 1.85898 295.0 6.7 6.5 5.7
68 0 3 1 24.594 49.188 1.85082 224.3 5.1 5.0 5.7
69 1 3 1 24.759 49.519 1.83922 109.2 2.5 2.4 5.7
70 2 3 0 24.838 49.677 1.83374 339.3 7.7 7.5 5.7
71 2 3 1 25.251 50.502 1.80569 84.3 1.9 1.9 5.8
72 3 2 4 25.301 50.602 1.80235 213.4 4.8 4.7 5.8
73 9 0 1 25.332 50.664 1.8003 136.3 3.1 3.0 5.8
74 6 1 4 25.544 51.088 1.78635 422.7 9.5 9.3 5.8
75 7 2 1 25.655 51.311 1.77912 116.3 2.6 2.6 5.8
76 8 0 3 25.842 51.684 1.76713 80.8 1.8 1.8 5.8
77 4 1 5 25.975 51.949 1.75873 737.1 16.7 16.3 5.8
78 5 0 5 26.054 52.109 1.75373 80.5 1.8 1.8 5.8
79 7 0 4 26.263 52.526 1.74078 128.6 2.9 2.8 5.8
80 4 2 4 26.421 52.842 1.73111 125.0 2.8 2.8 5.8
81 0 0 6 26.486 52.971 1.72718 239.1 5.4 5.3 5.8
82 9 0 2 26.539 53.078 1.72395 64.7 1.5 1.4 5.8
83 1 0 6 26.643 53.285 1.71774 141.1 3.2 3.1 5.8
84 4 3 0 26.762 53.523 1.71067 94.8 2.1 2.1 5.8
85 7 2 2 26.852 53.705 1.70532 777.9 17.6 17.1 5.8
86 8 1 3 27.179 54.357 1.68638 183.9 4.2 4.1 5.8
87 3 3 2 27.24 54.48 1.68286 410.3 9.3 9.0 5.8
88 5 1 5 27.383 54.767 1.67473 468.3 10.6 10.3 5.8
89 7 1 4 27.585 55.17 1.66344 124.7 2.8 2.7 5.8
90 0 3 3 27.792 55.585 1.65201 1628.4 36.8 35.8 5.8
91 9 1 2 27.852 55.705 1.64873 981.9 22.2 21.6 5.8
92 1 1 6 27.953 55.905 1.6433 645.6 14.6 14.2 5.8
93 8 2 1 27.995 55.99 1.64101 145.6 3.3 3.2 5.8
94 2 2 5 28.07 56.139 1.63699 87.9 2.0 1.9 5.8
95 10 0 1 28.297 56.593 1.62494 96.5 2.2 2.1 5.8
96 2 3 3 28.397 56.794 1.61967 264.8 6.0 5.8 5.8
97 5 3 1 28.522 57.044 1.61316 655.2 14.8 14.4 5.8
98 7 2 3 28.77 57.541 1.60041 58.4 1.3 1.3 5.8
99 3 2 5 28.819 57.639 1.59792 229.6 5.2 5.0 5.8
100 4 0 6 28.927 57.854 1.59248 137.1 3.1 3.0 5.8
101 3 3 3 29.141 58.282 1.5818 335.0 7.6 7.3 5.8
102 10 1 0 29.187 58.374 1.57953 681.9 15.4 14.9 5.8
103 10 1 1 29.558 59.115 1.56149 91.3 2.1 2.0 5.8
104 5 3 2 29.64 59.28 1.55754 260.5 5.9 5.7 5.8
105 9 1 3 29.728 59.455 1.55337 122.8 2.8 2.7 5.8
106 8 1 4 29.822 59.643 1.54892 235.5 5.3 5.1 5.8
107 4 3 3 30.164 60.327 1.53299 106.0 2.4 2.3 5.8
108 9 2 1 30.5 60.999 1.51769 325.3 7.3 7.1 5.8
109 10 1 2 30.652 61.304 1.51089 97.7 2.2 2.1 5.8
110 7 1 5 30.928 61.856 1.49872 321.8 7.3 7.0 5.8
111 9 0 4 31.044 62.087 1.49368 93.8 2.1 2.0 5.8
112 5 2 5 31.141 62.282 1.48948 201.1 4.5 4.4 5.8
113 10 0 3 31.236 62.472 1.48541 392.6 8.9 8.5 5.8
114 1 0 7 31.494 62.988 1.47449 61.9 1.4 1.3 5.9
115 0 2 6 31.527 63.053 1.47311 181.4 4.1 3.9 5.9
116 1 2 6 31.667 63.335 1.46724 447.6 10.1 9.7 5.9
117 7 3 1 31.987 63.974 1.45411 233.6 5.3 5.1 5.9
118 9 1 4 32.239 64.478 1.44396 99.6 2.3 2.2 5.9
119 0 1 7 32.541 65.083 1.43199 57.9 1.3 1.3 5.9
120 6 2 5 32.681 65.361 1.42656 456.9 10.3 9.9 5.9
121 3 2 6 32.781 65.562 1.42268 310.6 7.0 6.7 5.9
122 8 1 5 33.025 66.05 1.41334 226.9 5.1 4.9 5.9
123 0 4 0 33.092 66.184 1.4108 734.4 16.6 15.9 5.9
124 10 2 1 33.163 66.326 1.40813 47.6 1.1 1.0 5.9
125 4 0 7 33.572 67.143 1.39296 54.4 1.2 1.2 5.9
126 8 3 0 33.707 67.414 1.38803 146.1 3.3 3.2 5.9
127 3 1 7 33.776 67.552 1.38553 79.9 1.8 1.7 5.9
128 5 3 4 33.887 67.775 1.38151 159.7 3.6 3.4 5.9
129 2 4 1 33.981 67.963 1.37815 45.3 1.0 1.0 5.9
130 11 0 3 34.138 68.277 1.37257 159.0 3.6 3.4 5.9
131 9 0 5 34.183 68.366 1.371 224.7 5.1 4.8 5.9
132 3 4 1 34.656 69.311 1.35459 151.9 3.4 3.3 5.9
133 4 1 7 34.721 69.441 1.35237 66.2 1.5 1.4 5.9
134 7 1 6 34.752 69.504 1.35131 76.5 1.7 1.6 5.9
135 10 1 4 34.831 69.661 1.34864 71.6 1.6 1.5 5.9
136 5 2 6 34.953 69.906 1.34453 83.2 1.9 1.8 5.9
137 11 1 3 35.279 70.557 1.33369 100.8 2.3 2.2 5.9
138 6 3 4 35.365 70.73 1.33087 165.2 3.7 3.5 5.9
139 12 0 2 35.531 71.062 1.32546 59.4 1.3 1.3 5.9
140 4 4 1 35.59 71.179 1.32356 63.3 1.4 1.4 5.9
141 12 1 1 35.655 71.311 1.32144 118.4 2.7 2.5 5.9
142 4 3 5 35.721 71.443 1.31933 295.4 6.7 6.3 5.9
143 10 2 3 35.876 71.752 1.3144 758.5 17.1 16.3 5.9
144 1 2 7 36.117 72.234 1.30681 192.8 4.4 4.1 5.9
145 6 0 7 36.249 72.497 1.30271 162.8 3.7 3.5 5.9
146 8 2 5 36.447 72.893 1.2966 138.1 3.1 3.0 6.0
147 4 4 2 36.587 73.175 1.29231 84.2 1.9 1.8 6.0
148 2 4 3 36.666 73.333 1.28992 100.1 2.3 2.1 6.0
149 8 3 3 36.732 73.463 1.28795 94.6 2.1 2.0 6.0
150 5 4 1 36.776 73.552 1.28662 192.6 4.4 4.1 6.0
151 5 3 5 36.906 73.811 1.28273 184.1 4.2 3.9 6.0
152 2 0 8 37.01 74.021 1.27962 111.8 2.5 2.4 6.0
153 9 3 2 37.306 74.612 1.27094 237.5 5.4 5.1 6.0
154 1 3 6 37.392 74.784 1.26845 212.9 4.8 4.5 6.0
155 5 4 2 37.761 75.522 1.25786 384.9 8.7 8.2 6.0
156 9 0 6 37.846 75.692 1.25546 64.1 1.4 1.4 6.0
157 10 2 4 38.181 76.362 1.24611 88.3 2.0 1.9 6.0
158 12 1 3 38.292 76.583 1.24306 238.7 5.4 5.1 6.0
159 10 3 0 38.461 76.923 1.23842 400.9 9.1 8.5 6.0
160 4 0 8 38.567 77.133 1.23556 157.7 3.6 3.3 6.0
161 11 2 3 38.614 77.228 1.23428 112.7 2.5 2.4 6.0
162 12 2 0 38.654 77.309 1.23319 260.5 5.9 5.5 6.0
163 10 3 1 38.786 77.572 1.22967 71.9 1.6 1.5 6.0
164 13 1 1 38.914 77.828 1.22626 128.3 2.9 2.7 6.0
165 2 4 4 38.954 77.909 1.22519 88.5 2.0 1.9 6.0
166 8 3 4 39.018 78.037 1.2235 103.3 2.3 2.2 6.0
167 5 2 7 39.234 78.468 1.21786 99.1 2.2 2.1 6.0
168 4 1 8 39.657 79.314 1.20697 44.9 1.0 0.9 6.0
169 8 0 7 39.873 79.746 1.20152 142.1 3.2 3.0 6.0
170 12 2 2 39.946 79.893 1.19968 59.0 1.3 1.2 6.0
171 7 3 5 40.002 80.003 1.1983 150.7 3.4 3.2 6.0
172 13 0 3 40.405 80.81 1.18836 47.8 1.1 1.0 6.1
173 6 2 7 40.637 81.274 1.18274 201.0 4.5 4.2 6.1
174 7 4 2 40.837 81.675 1.17795 182.9 4.1 3.8 6.1
175 8 1 7 40.954 81.909 1.17518 84.3 1.9 1.8 6.1
176 9 3 4 41.185 82.371 1.16975 60.3 1.4 1.3 6.1
177 2 2 8 41.374 82.748 1.16538 210.6 4.8 4.4 6.1
178 8 4 0 41.461 82.921 1.16338 149.0 3.4 3.1 6.1
179 5 4 4 41.629 83.258 1.15953 99.9 2.3 2.1 6.1
180 2 4 5 41.842 83.684 1.15471 93.5 2.1 2.0 6.1
181 8 3 5 41.905 83.809 1.1533 94.1 2.1 2.0 6.1
182 2 3 7 41.967 83.934 1.1519 63.9 1.4 1.3 6.1
183 14 1 0 42.029 84.058 1.15052 131.6 3.0 2.7 6.1
184 1 0 9 42.113 84.227 1.14865 119.8 2.7 2.5 6.1
185 6 1 8 42.195 84.391 1.14683 571.1 12.9 11.9 6.1
186 14 1 1 42.347 84.694 1.1435 65.7 1.5 1.4 6.1
187 3 4 5 42.473 84.946 1.14075 83.0 1.9 1.7 6.1
188 4 2 8 42.889 85.777 1.13181 339.7 7.7 7.1 6.1
189 11 0 6 42.942 85.884 1.13068 54.7 1.2 1.1 6.1
190 9 1 7 43.101 86.203 1.12731 157.0 3.5 3.3 6.1
191 1 1 9 43.184 86.369 1.12557 126.5 2.9 2.6 6.1
192 14 1 2 43.299 86.599 1.12317 47.7 1.1 1.0 6.1
193 0 5 1 43.355 86.711 1.12201 44.4 1.0 0.9 6.1
194 7 3 6 43.508 87.017 1.11884 96.5 2.2 2.0 6.1
195 2 5 0 43.541 87.083 1.11817 65.2 1.5 1.4 6.1
196 12 2 4 43.771 87.541 1.11349 68.7 1.6 1.4 6.2
197 14 0 3 43.815 87.63 1.11258 60.4 1.4 1.2 6.2
198 9 4 1 43.921 87.842 1.11045 71.7 1.6 1.5 6.2
199 5 2 8 44.021 88.041 1.10845 312.6 7.1 6.5 6.2
200 3 1 9 44.19 88.38 1.10507 223.1 5.0 4.6 6.2
201 12 3 1 44.36 88.721 1.10171 69.2 1.6 1.4 6.2
202 8 0 8 44.649 89.297 1.09608 151.6 3.4 3.1 6.2
203 13 2 3 44.695 89.39 1.09519 108.8 2.5 2.2 6.2
204 0 4 6 44.828 89.656 1.09263 95.3 2.2 2.0 6.2
205 14 1 3 44.883 89.766 1.09157 85.7 1.9 1.8 6.2
206 15 0 1 44.925 89.85 1.09077 186.9 4.2 3.8 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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