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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FERROBUSTAMITE
1, f-pyroxenoids, sf-rhodonite
[Ca(0.82)Fe(0.15)Mn(0.03)]SiO(3)
Triclinic A 1(-) Z = 12
R =0.035
14 .3 .1990
Ref.Str.:
T.Yamanaka, R.Sadanada, Y.Takeuchi (1977)
* Amer. Mineral., 62, 1216-1224
Reserv:
O (pos.15) is bad
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.862 alpha = 89.73
b = 7.253 beta = 95.47
c = 13.967 gamma = 103.48
Unit cell volume (cub. angs.) = 770.85
Molar volume ( cub.cm/mol.) = 38.69
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2006 0.4175 0.3775 0.42 Ca = 0.97, Fe = 0.03
2 0.1988 0.9329 0.3757 0.54 Ca = 0.98, Fe = 0.02
3 0.5 0.25 0.25 0.51 Ca = 0.04, Fe = 0.96
4 0.5 0.75 0.25 0.54 Ca = 0.99, Fe = 0.01
5 0.1888 0.396 0.6365 0.36 Si = 1.00
6 0.1925 0.957 0.6315 0.63 Si = 1.00
7 0.3971 0.7263 0.5231 0.35 Si = 1.00
8 0.4292 0.2346 0.4026 0.72 O = 1.00
9 0.4008 0.7237 0.4085 0.58 O = 1.00
10 0.3177 0.4808 0.7315 0.69 O = 1.00
11 0.3103 0.928 0.7292 0.9 O = 1.00
12 0.015 0.6213 0.3556 0.87 O = 1.00
13 0.0129 0.1339 0.3738 1.04 O = 1.00
14 0.2637 0.5183 0.5434 0.77 O = 1.00
15 0.2787 0.8838 0.54 0.82 O = 1.00
16 0.2238 0.186 0.6188 1.11 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2006 0.4175 0.3775
2 2 0.1988 0.9329 0.3757
3 3 0.5 0.25 0.25
4 4 0.5 0.75 0.25
5 5 0.1888 0.396 0.6365
6 6 0.1925 0.957 0.6315
7 7 0.3971 0.7263 0.5231
8 8 0.4292 0.2346 0.4026
9 9 0.4008 0.7237 0.4085
10 10 0.3177 0.4808 0.7315
11 11 0.3103 0.928 0.7292
12 12 0.015 0.6213 0.3556
13 13 0.0129 0.1339 0.3738
14 14 0.2637 0.5183 0.5434
15 15 0.2787 0.8838 0.54
16 16 0.2238 0.186 0.6188
17 1 0.7994 0.5825 0.6225
18 2 0.8012 0.0671 0.6243
19 3 0.5 0.75 0.75
20 4 0.5 0.25 0.75
21 5 0.8112 0.604 0.3635
22 6 0.8075 0.043 0.3685
23 7 0.6029 0.2737 0.4769
24 8 0.5708 0.7654 0.5974
25 9 0.5992 0.2763 0.5915
26 10 0.6823 0.5192 0.2685
27 11 0.6897 0.072 0.2708
28 12 0.985 0.3787 0.6444
29 13 0.9871 0.8661 0.6262
30 14 0.7363 0.4817 0.4566
31 15 0.7213 0.1162 0.46
32 16 0.7762 0.814 0.3812
33 1 0.7994 0.0825 0.1225
34 2 0.8012 0.5671 0.1243
35 5 0.8112 0.104 0.8635
36 6 0.8075 0.543 0.8685
37 7 0.6029 0.7737 0.9769
38 8 0.5708 0.2654 0.0974
39 9 0.5992 0.7763 0.0915
40 10 0.6823 0.0192 0.7685
41 11 0.6897 0.572 0.7708
42 12 0.985 0.8787 0.1444
43 13 0.9871 0.3661 0.1262
44 14 0.7363 0.9817 0.9566
45 15 0.7213 0.6162 0.96
46 16 0.7762 0.314 0.8812
47 1 0.2006 0.9175 0.8775
48 2 0.1988 0.4329 0.8757
49 5 0.1888 0.896 0.1365
50 6 0.1925 0.457 0.1315
51 7 0.3971 0.2263 0.0231
52 8 0.4292 0.7346 0.9026
53 9 0.4008 0.2237 0.9085
54 10 0.3177 0.9808 0.2315
55 11 0.3103 0.428 0.2292
56 12 0.015 0.1213 0.8556
57 13 0.0129 0.6339 0.8738
58 14 0.2637 0.0183 0.0434
59 15 0.2787 0.3838 0.04
60 16 0.2238 0.686 0.1188
X-ray density (g/cm cub.) = 3.07
MU (1/cm) = 310.212 Mass attenuation coefficient (cm**2/g) = 100.9
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Fe 2.88 6
2.4698 8
2.418 9
2.3074 12
2.2322 13
2.4036 14
2.3127 11
2 Ca ,Fe 2.88 6
2.4981 8
2.452 9
2.3834 12
2.2908 13
2.3684 15
2.2917 10
3 Ca ,Fe 2.88 6
2.2494 8
2.1361 10
2.1879 11
2.2494 8
2.1361 10
2.1879 11
4 Ca ,Fe 2.88 8
2.4086 9
2.4428 10
2.4623 11
2.6586 16
2.4086 9
2.4428 10
2.4623 11
2.6586 16
5 Si 2.1 4
1.6207 10
1.648 14
1.6336 16
1.5922 12
6 Si 2.1 4
1.6159 11
1.6473 15
1.6327 16
1.5904 13
7 Si 2.1 4
1.6039 9
1.6647 14
1.6635 15
1.6045 8
8 O 3.264 8
3.1693 13
3.2465 15
2.8259 9
3.2385 10
2.6942 14
2.6863 15
2.9593 10
2.9757 11
9 O 3.264 7
2.9707 12
2.558 14
2.5533 15
2.8259 8
2.9319 16
3.1988 10
3.2213 11
10 O 3.264 8
3.2575 11
2.644 14
2.5824 16
3.2385 8
2.7146 12
2.8439 11
2.9593 8
3.1988 9
11 O 3.264 7
3.2575 10
2.6445 15
2.59 16
2.7395 13
2.8439 10
2.9757 8
3.2213 9
12 O 3.264 4
2.9707 9
2.7146 10
2.7125 14
2.6386 16
13 O 3.264 4
3.1693 8
2.7395 11
2.6663 15
2.6227 16
14 O 3.264 6
2.558 9
2.644 10
2.6264 15
2.589 16
2.6942 8
2.7125 12
15 O 3.264 7
3.2465 8
2.5533 9
2.6445 11
2.6264 14
2.5993 16
2.6863 8
2.6663 13
16 O 3.264 7
2.5824 10
2.59 11
2.589 14
2.5993 15
2.9319 9
2.6386 12
2.6227 13
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 6.751 13.501 0.066 141.79 2 62.2 184.8
2 0 0 2 7.394 14.788 0.072 117.81 2 33.8 45.3
3 0 -1 1 8.116 16.233 0.079 97.39 2 6.1 1.2
4 0 1 1 8.236 16.473 0.08 94.51 2 8.7 2.4
5 -1 1 1 9.262 18.524 0.09 74.28 2 36.6 33.5
6 -1 0 2 9.536 19.072 0.093 69.95 2 34.7 28.4
7 1 -1 1 9.675 19.351 0.094 67.88 2 13.3 4.1
8 1 0 2 10.516 21.032 0.102 57.14 2 27.9 15.0
9 -1 -1 1 11.427 22.855 0.111 48.06 2 68.1 75.0
10 1 1 1 11.936 23.872 0.116 43.88 2 6.1 0.6
11 0 -1 3 13.241 26.482 0.128 35.27 2 16.4 3.2
12 0 1 3 13.467 26.934 0.13 34.03 2 20.7 4.9
13 2 0 0 13.597 27.194 0.131 33.34 2 117.5 154.8
14 -1 1 3 13.774 27.547 0.133 32.44 2 54.2 32.1
15 -2 1 1 14.048 28.096 0.136 31.11 2 94.4 93.3
16 1 -1 3 14.62 29.24 0.141 28.57 2 67.3 43.6
17 2 -1 1 14.677 29.353 0.142 28.34 2 27.4 7.2
18 -1 2 0 14.681 29.362 0.142 28.32 2 4.7 0.2
19 0 2 0 14.695 29.39 0.142 28.26 2 6.3 0.4
20 -2 0 2 14.883 29.765 0.144 27.51 2 69.8 45.1
21 0 0 4 14.915 29.829 0.144 27.38 2 139.8 180.1
22 -1 -1 3 15.212 30.425 0.147 26.24 2 82.1 59.6
23 -1 0 4 15.807 31.613 0.152 24.17 2 211.7 364.6
24 2 0 2 16.185 32.369 0.156 22.96 2 60.6 28.4
25 -1 2 2 16.328 32.656 0.157 22.53 2 28.1 6.0
26 1 1 3 16.368 32.737 0.158 22.41 2 54.6 22.5
27 0 -2 2 16.401 32.803 0.158 22.31 2 20.2 3.1
28 0 2 2 16.65 33.299 0.16 21.6 2 13.2 1.3
29 1 -2 2 16.696 33.393 0.161 21.47 2 15.1 1.6
30 1 0 4 17.045 34.091 0.164 20.52 2 205.9 292.8
31 -2 -1 1 17.074 34.149 0.164 20.45 2 89.9 55.6
32 -2 1 3 17.132 34.263 0.165 20.3 2 60.2 24.8
33 -2 2 0 17.631 35.262 0.169 19.06 2 314.9 636.1
34 1 2 0 17.667 35.335 0.17 18.98 2 312.6 624.3
35 2 1 1 17.722 35.445 0.17 18.85 2 48.7 15.0
36 2 -1 3 18.681 37.361 0.179 16.79 2 25.8 3.7
37 -2 2 2 18.778 37.556 0.18 16.6 2 72.5 29.3
38 -1 -2 2 18.866 37.731 0.181 16.43 2 64.6 23.1
39 -2 0 4 19.35 38.7 0.185 15.53 2 142.1 105.6
40 1 2 2 19.623 39.246 0.188 15.06 2 8.0 0.3
41 -2 -1 3 19.632 39.263 0.188 15.04 2 21.3 2.3
42 2 -2 2 19.641 39.283 0.188 15.03 2 1.4 0.0
43 0 -1 5 20.101 40.203 0.192 14.27 2 103.4 51.3
44 -3 1 1 20.23 40.46 0.193 14.07 2 48.2 11.0
45 -1 1 5 20.32 40.639 0.194 13.93 2 95.9 43.1
46 0 1 5 20.362 40.724 0.195 13.87 2 55.0 14.1
47 3 0 0 20.649 41.298 0.197 13.44 2 123.6 69.1
48 -1 2 4 20.875 41.75 0.199 13.12 2 91.9 37.3
49 3 -1 1 20.944 41.888 0.2 13.02 2 46.0 9.3
50 0 -2 4 20.983 41.967 0.2 12.97 2 91.3 36.4
51 -1 -1 5 21.268 42.536 0.203 12.58 2 48.0 9.7
52 -3 0 2 21.314 42.629 0.203 12.52 2 7.0 0.2
53 2 1 3 21.324 42.648 0.203 12.51 2 5.7 0.1
54 1 -1 5 21.329 42.658 0.203 12.5 2 18.5 1.4
55 0 2 4 21.385 42.77 0.204 12.43 2 142.2 84.6
56 2 0 4 21.409 42.817 0.204 12.4 2 138.0 79.4
57 1 -2 4 21.471 42.941 0.205 12.32 2 133.9 74.3
58 -1 3 1 22.076 44.153 0.21 11.57 2 17.9 1.3
59 1 -3 1 22.172 44.343 0.211 11.46 2 7.9 0.2
60 -3 1 3 22.341 44.682 0.212 11.27 2 20.3 1.6
61 -3 2 0 22.536 45.072 0.214 11.05 2 119.6 53.1
62 2 2 0 22.585 45.17 0.215 10.99 2 132.7 65.2
63 -2 1 5 22.605 45.209 0.215 10.97 2 6.1 0.1
64 0 -3 1 22.629 45.258 0.215 10.94 2 8.8 0.3
65 -2 2 4 22.676 45.351 0.216 10.89 2 67.8 16.8
66 0 0 6 22.71 45.42 0.216 10.86 2 81.7 24.4
67 1 1 5 22.721 45.442 0.216 10.84 2 29.9 3.3
68 3 0 2 22.763 45.526 0.216 10.8 2 100.9 37.0
69 0 3 1 22.772 45.543 0.216 10.79 2 5.5 0.1
70 -1 -2 4 22.797 45.593 0.217 10.76 2 56.8 11.7
71 -1 0 6 23.111 46.222 0.219 10.43 2 223.4 175.3
72 -3 2 2 23.251 46.502 0.221 10.29 2 34.4 4.1
73 -2 -2 2 23.344 46.688 0.222 10.2 2 47.9 7.9
74 -2 3 1 23.604 47.209 0.224 9.95 2 22.3 1.7
75 -3 -1 1 23.64 47.281 0.224 9.91 2 17.0 1.0
76 2 -3 1 23.922 47.845 0.227 9.65 2 6.7 0.1
77 1 2 4 24.088 48.175 0.228 9.5 2 81.2 21.1
78 2 -2 4 24.147 48.295 0.229 9.45 2 73.1 17.0
79 3 -1 3 24.281 48.563 0.23 9.33 2 11.1 0.4
80 3 1 1 24.364 48.728 0.231 9.26 2 40.2 5.0
81 3 -2 2 24.431 48.862 0.231 9.2 2 199.0 122.7
82 2 2 2 24.434 48.868 0.231 9.2 2 188.6 110.1
83 1 0 6 24.476 48.953 0.232 9.16 2 3.8 0.0
84 -2 -1 5 24.553 49.106 0.232 9.1 2 3.8 0.0
85 -3 0 4 24.579 49.157 0.233 9.07 2 86.3 22.8
86 -1 3 3 24.595 49.189 0.233 9.06 2 24.1 1.8
87 2 -1 5 24.662 49.323 0.233 9.01 2 29.2 2.6
88 1 -3 3 24.857 49.714 0.235 8.84 2 15.6 0.7
89 0 -3 3 25.059 50.118 0.237 8.68 2 40.6 4.8
90 -1 -3 1 25.201 50.402 0.238 8.57 2 24.4 1.7
91 -3 -1 3 25.441 50.881 0.24 8.39 2 5.4 0.1
92 0 3 3 25.453 50.907 0.24 8.38 2 23.3 1.5
93 1 3 1 25.549 51.098 0.241 8.31 2 18.6 1.0
94 -2 0 6 25.602 51.204 0.242 8.27 2 97.3 26.3
95 -2 3 3 25.796 51.591 0.243 8.13 2 2.9 0.0
96 -3 2 4 26.415 52.829 0.249 7.7 2 107.7 30.1
97 -2 -2 4 26.54 53.08 0.25 7.62 2 107.1 29.4
98 2 -3 3 26.682 53.365 0.251 7.53 2 22.2 1.3
99 -3 1 5 26.746 53.491 0.252 7.49 2 0.2 0.0
100 2 1 5 26.917 53.834 0.253 7.38 2 29.0 2.1
101 -3 3 1 27.067 54.133 0.254 7.29 2 56.3 7.8
102 -4 1 1 27.124 54.247 0.255 7.25 2 5.0 0.1
103 -1 2 6 27.136 54.271 0.255 7.24 2 32.1 2.5
104 3 0 4 27.147 54.294 0.255 7.24 2 123.7 37.3
105 -1 -3 3 27.255 54.51 0.256 7.17 2 41.6 4.2
106 0 -2 6 27.265 54.529 0.256 7.17 2 28.5 2.0
107 3 1 3 27.463 54.927 0.258 7.05 2 39.8 3.8
108 3 -3 1 27.56 55.12 0.259 6.99 2 21.8 1.1
109 0 -1 7 27.757 55.513 0.26 6.88 2 20.4 1.0
110 0 2 6 27.76 55.52 0.26 6.88 2 87.7 17.8
111 -1 1 7 27.807 55.613 0.261 6.85 2 18.7 0.8
112 1 -2 6 27.87 55.74 0.261 6.82 2 88.7 18.1
113 4 -1 1 27.902 55.805 0.262 6.8 2 12.8 0.4
114 0 1 7 28.043 56.086 0.263 6.72 2 35.0 2.8
115 4 0 0 28.046 56.093 0.263 6.72 2 121.4 33.4
116 2 0 6 28.104 56.207 0.263 6.69 2 2.4 0.0
117 1 3 3 28.236 56.472 0.264 6.62 2 11.7 0.3
118 -4 0 2 28.379 56.758 0.266 6.54 2 26.2 1.5
119 -2 2 6 28.436 56.872 0.266 6.51 2 3.3 0.0
120 -1 -1 7 28.482 56.964 0.267 6.49 2 20.8 0.9
121 2 2 4 28.51 57.02 0.267 6.48 2 91.0 18.1
122 3 -2 4 28.546 57.093 0.267 6.46 2 93.8 19.1
123 -1 -2 6 28.578 57.155 0.267 6.44 2 12.4 0.3
124 -4 2 0 28.636 57.271 0.268 6.41 2 101.0 22.0
125 -4 1 3 28.647 57.295 0.268 6.41 2 18.2 0.7
126 3 2 0 28.694 57.387 0.268 6.38 2 99.0 21.1
127 -3 3 3 28.872 57.744 0.27 6.29 2 85.5 15.5
128 1 -1 7 28.93 57.859 0.27 6.26 2 54.2 6.2
129 -4 2 2 29.044 58.087 0.271 6.21 2 117.8 29.0
130 -3 -2 2 29.139 58.279 0.272 6.16 2 125.4 32.6
131 -1 3 5 29.22 58.44 0.273 6.13 2 14.8 0.5
132 -3 -1 5 29.427 58.854 0.275 6.03 2 18.9 0.7
133 -2 1 7 29.457 58.913 0.275 6.02 2 35.6 2.6
134 -2 -3 1 29.481 58.962 0.275 6.0 2 82.8 13.9
135 -1 4 0 29.558 59.115 0.276 5.97 2 335.3 225.9
136 3 -1 5 29.571 59.143 0.276 5.96 2 3.1 0.0
137 0 -3 5 29.592 59.185 0.276 5.95 2 22.3 1.0
138 1 -3 5 29.608 59.217 0.276 5.95 2 11.4 0.3
139 -3 0 6 29.802 59.605 0.278 5.86 2 29.8 1.7
140 4 0 2 29.958 59.915 0.279 5.79 2 108.5 22.9
141 2 3 1 29.989 59.978 0.279 5.78 2 18.2 0.6
142 -2 3 5 30.1 60.201 0.28 5.73 2 25.8 1.3
143 1 1 7 30.137 60.274 0.281 5.72 2 19.5 0.7
144 0 3 5 30.18 60.36 0.281 5.7 2 2.9 0.0
145 1 2 6 30.23 60.461 0.281 5.68 2 110.7 23.4
146 3 -3 3 30.278 60.556 0.282 5.66 2 53.4 5.4
147 2 -2 6 30.319 60.638 0.282 5.64 2 115.0 25.1
148 4 -2 2 30.446 60.893 0.283 5.59 2 79.0 11.7
149 -2 4 0 30.456 60.911 0.283 5.58 2 33.2 2.1
150 3 2 2 30.465 60.929 0.283 5.58 2 69.0 8.9
151 0 4 0 30.487 60.975 0.284 5.57 2 47.3 4.2
152 -1 4 2 30.614 61.228 0.285 5.52 2 54.9 5.6
153 1 -4 2 30.688 61.376 0.285 5.49 2 41.9 3.2
154 -4 -1 1 30.854 61.708 0.287 5.42 2 6.4 0.1
155 4 -1 3 30.869 61.738 0.287 5.42 2 42.1 3.2
156 -4 0 4 30.909 61.818 0.287 5.4 2 8.8 0.1
157 0 0 8 30.981 61.962 0.288 5.37 2 260.6 122.9
158 -2 -1 7 31.02 62.041 0.288 5.36 2 3.8 0.0
159 -1 0 8 31.117 62.233 0.289 5.32 2 68.4 8.4
160 -2 -3 3 31.157 62.314 0.289 5.31 2 72.7 9.4
161 -2 4 2 31.305 62.61 0.29 5.25 2 14.4 0.4
162 -1 -3 5 31.388 62.776 0.291 5.22 2 69.3 8.4
163 0 -4 2 31.41 62.819 0.291 5.21 2 10.1 0.2
164 2 -3 5 31.434 62.868 0.292 5.21 2 52.3 4.8
165 -3 2 6 31.506 63.012 0.292 5.18 2 199.5 69.4
166 -4 2 4 31.617 63.234 0.293 5.14 2 192.2 63.9
167 4 1 1 31.65 63.3 0.293 5.13 2 27.9 1.3
168 -2 -2 6 31.655 63.309 0.293 5.13 2 199.9 69.0
169 0 4 2 31.713 63.426 0.294 5.11 2 59.3 6.1
170 -3 -2 4 31.744 63.489 0.294 5.09 2 183.1 57.5
171 2 -4 2 31.755 63.51 0.294 5.09 2 64.3 7.1
172 2 -1 7 31.868 63.735 0.295 5.05 2 41.8 3.0
173 -4 3 1 32.037 64.074 0.297 4.99 2 93.5 14.7
174 -4 -1 3 32.192 64.383 0.298 4.94 2 30.3 1.5
175 -4 1 5 32.263 64.526 0.298 4.92 2 30.4 1.5
176 3 1 5 32.476 64.953 0.3 4.85 2 1.0 0.0
177 1 0 8 32.615 65.231 0.301 4.8 2 58.3 5.5
178 2 3 3 32.62 65.239 0.301 4.8 2 57.0 5.3
179 4 -3 1 32.668 65.336 0.302 4.79 2 39.2 2.5
180 -3 3 5 32.732 65.464 0.302 4.77 2 88.7 12.6
181 -3 1 7 32.815 65.63 0.303 4.74 2 7.6 0.1
182 1 3 5 32.884 65.767 0.303 4.72 2 56.7 5.1
183 -2 0 8 33.01 66.02 0.305 4.68 2 66.1 6.9
184 -3 4 0 33.094 66.187 0.305 4.66 2 21.5 0.7
185 1 4 0 33.154 66.309 0.306 4.64 2 27.2 1.2
186 3 0 6 33.197 66.395 0.306 4.63 2 43.9 3.0
187 -4 3 3 33.495 66.991 0.308 4.54 2 9.7 0.1
188 -3 4 2 33.725 67.45 0.31 4.47 2 24.1 0.9
189 -1 4 4 33.737 67.474 0.31 4.47 2 96.5 14.0
190 -1 -4 2 33.856 67.711 0.311 4.44 2 39.4 2.3
191 1 -4 4 33.878 67.756 0.312 4.43 2 92.5 12.8
192 2 1 7 33.88 67.759 0.312 4.43 2 58.5 5.1
193 4 0 4 33.881 67.762 0.312 4.43 2 40.0 2.4
194 -2 4 4 34.214 68.427 0.314 4.34 2 165.1 39.8
195 3 2 4 34.248 68.496 0.315 4.33 2 183.2 48.9
196 4 -2 4 34.266 68.531 0.315 4.33 2 172.0 43.1
197 2 2 6 34.307 68.614 0.315 4.32 2 29.6 1.3
198 3 -2 6 34.375 68.75 0.316 4.3 2 33.1 1.6
199 0 -4 4 34.384 68.767 0.316 4.3 2 151.3 33.1
200 4 1 3 34.497 68.995 0.317 4.27 2 39.5 2.2
201 1 4 2 34.508 69.017 0.317 4.27 2 10.0 0.1
202 3 -4 2 34.519 69.037 0.317 4.26 2 13.9 0.3
203 -1 2 8 34.585 69.17 0.317 4.25 2 11.5 0.2
204 -5 1 1 34.681 69.363 0.318 4.22 2 8.8 0.1
205 0 -2 8 34.732 69.464 0.318 4.21 2 13.7 0.3
206 -2 -3 5 34.835 69.671 0.319 4.18 2 66.6 6.2
207 3 -3 5 34.908 69.816 0.32 4.17 2 2.5 0.0
208 0 4 4 34.962 69.924 0.32 4.15 2 102.5 14.7
209 2 -4 4 35.071 70.143 0.321 4.13 2 113.5 17.9
210 -3 -3 1 35.106 70.211 0.321 4.12 2 76.2 8.1
211 -3 -1 7 35.145 70.29 0.322 4.11 2 14.3 0.3
212 0 2 8 35.308 70.616 0.323 4.07 2 35.5 1.7
213 4 -3 3 35.331 70.661 0.323 4.07 2 56.7 4.4
214 -4 0 6 35.362 70.724 0.324 4.06 2 45.8 2.9
215 1 -2 8 35.439 70.877 0.324 4.04 2 31.6 1.4
216 -1 3 7 35.457 70.914 0.324 4.04 2 25.3 0.9
217 -4 -1 5 35.533 71.065 0.325 4.02 2 37.4 1.9
218 5 -1 1 35.538 71.076 0.325 4.02 2 25.3 0.9
219 -2 2 8 35.547 71.093 0.325 4.02 2 117.3 18.6
220 -5 2 0 35.674 71.347 0.326 3.99 2 81.7 9.0
221 4 -1 5 35.707 71.413 0.326 3.98 2 9.3 0.1
222 -1 -2 8 35.707 71.413 0.326 3.98 2 119.0 19.0
223 4 2 0 35.74 71.48 0.327 3.98 2 71.0 6.7
224 3 3 1 35.746 71.493 0.327 3.97 2 52.7 3.7
225 0 -3 7 35.757 71.514 0.327 3.97 2 67.7 6.1
226 -5 1 3 35.84 71.679 0.327 3.95 2 12.7 0.2
227 -5 2 2 35.86 71.72 0.327 3.95 2 101.5 13.7
228 2 0 8 35.892 71.783 0.328 3.94 2 18.6 0.5
229 1 -3 7 35.948 71.896 0.328 3.93 2 27.6 1.0
230 -4 -2 2 35.96 71.921 0.328 3.93 2 109.7 15.9
231 5 0 0 35.996 71.992 0.329 3.92 2 137.2 24.8
232 -2 3 7 36.078 72.157 0.329 3.9 2 57.4 4.3
233 -4 2 6 36.096 72.192 0.329 3.9 2 121.6 19.4
234 -5 0 2 36.111 72.221 0.329 3.9 2 68.2 6.1
235 -1 1 9 36.136 72.273 0.33 3.89 2 18.2 0.4
236 0 -1 9 36.198 72.397 0.33 3.88 2 11.0 0.2
237 -3 -2 6 36.25 72.499 0.331 3.87 2 123.9 20.0
238 3 -1 7 36.338 72.677 0.331 3.85 2 61.0 4.8
239 -3 4 4 36.361 72.723 0.331 3.84 2 123.2 19.7
240 -3 -3 3 36.468 72.936 0.332 3.82 2 21.0 0.6
241 0 3 7 36.503 73.005 0.333 3.82 2 30.8 1.2
242 0 1 9 36.517 73.034 0.333 3.81 2 55.3 3.9
243 -3 0 8 36.52 73.04 0.333 3.81 2 115.5 17.1
244 -1 -4 4 36.556 73.113 0.333 3.81 2 123.0 19.4
245 -1 -1 9 36.654 73.307 0.334 3.79 2 36.2 1.7
246 -4 3 5 36.921 73.841 0.336 3.73 2 10.9 0.1
247 2 3 5 37.136 74.272 0.337 3.69 2 17.6 0.4
248 -1 -3 7 37.223 74.446 0.338 3.68 2 12.0 0.2
249 -4 4 0 37.285 74.57 0.339 3.67 2 107.6 14.3
250 2 4 0 37.371 74.743 0.339 3.65 2 102.2 12.8
251 1 -1 9 37.395 74.791 0.339 3.65 2 73.0 6.5
252 -2 1 9 37.408 74.817 0.34 3.65 2 29.2 1.0
253 5 -2 2 37.472 74.945 0.34 3.63 2 75.4 7.0
254 4 2 2 37.503 75.007 0.34 3.63 2 83.8 8.6
255 -4 1 7 37.653 75.307 0.341 3.6 2 11.0 0.1
256 1 2 8 37.674 75.348 0.342 3.6 2 218.2 57.7
257 -4 4 2 37.712 75.424 0.342 3.59 2 39.6 1.9
258 2 -3 7 37.787 75.574 0.343 3.58 2 27.0 0.9
259 2 -2 8 37.787 75.575 0.343 3.58 2 218.0 57.3
260 1 4 4 37.816 75.632 0.343 3.57 2 125.0 18.8
261 5 0 2 37.859 75.717 0.343 3.57 2 109.6 14.4
262 -2 -4 2 37.865 75.731 0.343 3.57 2 32.0 1.2
263 3 -4 4 37.893 75.787 0.343 3.56 2 111.5 14.9
264 -5 2 4 38.02 76.04 0.344 3.54 2 78.8 7.4
265 -3 2 8 38.14 76.28 0.345 3.52 2 38.8 1.8
266 -4 -2 4 38.152 76.303 0.345 3.52 2 80.5 7.7
267 -5 0 4 38.196 76.391 0.346 3.51 2 211.1 52.7
268 -5 3 1 38.256 76.511 0.346 3.5 2 7.8 0.1
269 -2 -2 8 38.31 76.62 0.347 3.49 2 35.4 1.5
270 -3 3 7 38.334 76.669 0.347 3.49 2 17.2 0.3
271 3 3 3 38.35 76.7 0.347 3.49 2 33.0 1.3
272 5 -1 3 38.353 76.707 0.347 3.49 2 20.3 0.5
273 1 -5 1 38.369 76.737 0.347 3.48 2 0.9 0.0
274 -1 5 1 38.37 76.74 0.347 3.48 2 19.8 0.5
275 1 1 9 38.533 77.065 0.348 3.46 2 34.9 1.4
276 -2 5 1 38.672 77.344 0.349 3.44 2 7.9 0.1
277 -1 4 6 38.685 77.371 0.349 3.44 2 46.9 2.5
278 -2 -1 9 38.74 77.48 0.35 3.43 2 28.3 0.9
279 -5 -1 1 38.814 77.629 0.35 3.42 2 21.0 0.5
280 4 -4 2 38.815 77.631 0.35 3.42 2 40.0 1.8
281 2 4 2 38.834 77.668 0.351 3.41 2 46.2 2.5
282 2 -5 1 38.843 77.686 0.351 3.41 2 40.5 1.9
283 1 -4 6 38.886 77.772 0.351 3.41 2 56.5 3.7
284 -5 1 5 38.939 77.878 0.351 3.4 2 29.4 1.0
285 -2 4 6 38.966 77.932 0.352 3.39 2 123.7 17.5
286 5 -3 1 39.013 78.025 0.352 3.39 2 38.0 1.6
287 3 1 7 39.06 78.12 0.352 3.38 2 24.7 0.7
288 1 3 7 39.164 78.328 0.353 3.37 2 16.7 0.3
289 4 1 5 39.193 78.385 0.353 3.36 2 20.8 0.5
290 0 -4 6 39.194 78.389 0.353 3.36 2 128.1 18.6
291 -5 3 3 39.442 78.885 0.355 3.33 2 45.1 2.3
292 0 -5 1 39.515 79.03 0.356 3.32 2 33.6 1.3
293 4 0 6 39.541 79.082 0.356 3.31 2 46.3 2.4
294 0 5 1 39.687 79.375 0.357 3.29 2 29.1 0.9
295 5 1 1 39.706 79.412 0.357 3.29 2 37.6 1.6
296 -3 -3 5 39.754 79.509 0.357 3.29 2 8.2 0.1
297 3 2 6 39.786 79.571 0.358 3.28 2 40.2 1.8
298 4 -2 6 39.836 79.671 0.358 3.28 2 44.0 2.1
299 4 -3 5 39.851 79.703 0.358 3.27 2 33.0 1.2
300 -5 -1 3 39.859 79.718 0.358 3.27 2 16.8 0.3
301 -1 0 10 40.0 80.001 0.359 3.25 2 44.7 2.2
302 0 4 6 40.021 80.042 0.359 3.25 2 19.7 0.4
303 0 0 10 40.049 80.098 0.36 3.25 2 80.0 7.0
304 -4 4 4 40.076 80.152 0.36 3.25 2 82.4 7.4
305 2 -4 6 40.191 80.383 0.361 3.23 2 9.5 0.1
306 2 -1 9 40.193 80.387 0.361 3.23 2 13.1 0.2
307 -3 1 9 40.279 80.558 0.361 3.22 2 2.5 0.0
308 -2 -3 7 40.282 80.564 0.361 3.22 2 31.0 1.0
309 -2 -4 4 40.293 80.586 0.362 3.22 2 59.3 3.8
310 1 -5 3 40.303 80.606 0.362 3.22 2 4.8 0.0
311 -1 5 3 40.307 80.614 0.362 3.22 2 32.2 1.1
312 -2 5 3 40.435 80.87 0.363 3.2 2 65.0 4.6
313 -3 5 1 40.584 81.167 0.364 3.18 2 76.1 6.2
314 3 0 8 40.658 81.316 0.364 3.18 2 153.8 25.3
315 -4 -1 7 40.675 81.35 0.364 3.17 2 51.2 2.8
316 -3 4 6 40.853 81.706 0.366 3.15 2 64.6 4.4
317 3 -5 1 40.922 81.844 0.366 3.15 2 23.6 0.6
318 2 -5 3 40.941 81.882 0.366 3.14 2 85.5 7.7
319 -1 -4 6 41.107 82.214 0.368 3.13 2 50.1 2.6
320 4 2 4 41.163 82.326 0.368 3.12 2 76.1 6.1
321 5 -2 4 41.166 82.332 0.368 3.12 2 79.7 6.7
322 3 -3 7 41.2 82.4 0.368 3.12 2 15.0 0.2
323 0 -5 3 41.267 82.533 0.369 3.11 2 85.6 7.7
324 -4 0 8 41.504 83.009 0.37 3.09 2 5.2 0.0
325 -2 0 10 41.552 83.105 0.371 3.08 2 76.3 6.0
326 2 2 8 41.591 83.182 0.371 3.08 2 124.8 16.1
327 5 0 4 41.611 83.222 0.371 3.08 2 238.1 58.7
328 5 -3 3 41.685 83.37 0.372 3.07 2 20.4 0.4
329 3 -2 8 41.688 83.375 0.372 3.07 2 123.9 15.8
330 1 0 10 41.698 83.396 0.372 3.07 2 22.5 0.5
331 0 5 3 41.778 83.556 0.372 3.06 2 61.7 3.9
332 -4 -3 1 41.951 83.902 0.374 3.04 2 30.5 1.0
333 -5 2 6 42.056 84.111 0.374 3.03 2 21.5 0.5
334 2 1 9 42.113 84.225 0.375 3.03 2 5.9 0.0
335 -4 3 7 42.145 84.291 0.375 3.03 2 13.0 0.2
336 -5 0 6 42.159 84.319 0.375 3.02 2 108.8 12.1
337 -3 5 3 42.159 84.319 0.375 3.02 2 27.4 0.8
338 2 4 4 42.195 84.39 0.375 3.02 2 46.4 2.2
339 4 -1 7 42.195 84.391 0.375 3.02 2 10.7 0.1
340 -4 -2 6 42.217 84.434 0.376 3.02 2 28.0 0.8
341 4 -4 4 42.242 84.484 0.376 3.02 2 48.3 2.4
342 -1 -5 1 42.249 84.497 0.376 3.02 2 87.8 7.8
343 -4 2 8 42.272 84.544 0.376 3.01 2 88.5 7.9
344 -3 -1 9 42.388 84.776 0.377 3.0 2 13.5 0.2
345 -3 -2 8 42.452 84.905 0.377 3.0 2 97.7 9.6
346 5 1 3 42.504 85.008 0.378 2.99 2 8.8 0.1
347 -5 3 5 42.531 85.063 0.378 2.99 2 4.7 0.0
348 1 5 1 42.587 85.174 0.378 2.99 2 69.7 4.9
349 4 3 1 42.728 85.455 0.379 2.98 2 11.0 0.1
350 -5 -1 5 42.806 85.612 0.38 2.97 2 20.0 0.4
351 3 3 5 42.808 85.617 0.38 2.97 2 24.2 0.6
352 -5 4 0 42.904 85.807 0.381 2.96 2 50.5 2.5
353 1 4 6 42.937 85.874 0.381 2.96 2 22.4 0.5
354 5 -1 5 43.013 86.025 0.381 2.95 2 31.2 1.0
355 3 4 0 43.015 86.031 0.381 2.95 2 68.3 4.6
356 3 -4 6 43.077 86.155 0.382 2.95 2 14.1 0.2
357 -4 -3 3 43.08 86.159 0.382 2.95 2 37.6 1.4
358 -6 1 1 43.127 86.253 0.382 2.94 2 10.0 0.1
359 -5 4 2 43.149 86.297 0.382 2.94 2 52.4 2.7
360 -1 3 9 43.156 86.312 0.382 2.94 2 24.7 0.6
361 3 -5 3 43.167 86.334 0.382 2.94 2 4.0 0.0
362 -1 2 10 43.251 86.502 0.383 2.94 2 8.0 0.1
363 -3 -4 2 43.326 86.651 0.384 2.93 2 33.7 1.1
364 2 3 7 43.364 86.728 0.384 2.93 2 1.9 0.0
365 0 -3 9 43.405 86.81 0.384 2.92 2 40.8 1.6
366 0 -2 10 43.422 86.843 0.384 2.92 2 4.3 0.0
367 -2 3 9 43.578 87.155 0.385 2.91 2 40.2 1.6
368 -6 2 0 43.747 87.494 0.387 2.9 2 14.8 0.2
369 1 -3 9 43.755 87.51 0.387 2.9 2 27.9 0.8
370 -6 2 2 43.756 87.511 0.387 2.9 2 48.1 2.3
371 -1 -5 3 43.813 87.626 0.387 2.9 2 12.9 0.2
372 5 2 0 43.823 87.647 0.387 2.9 2 17.8 0.3
373 -5 -2 2 43.865 87.73 0.387 2.89 2 45.3 2.0
374 -5 1 7 43.871 87.742 0.387 2.89 2 20.9 0.4
375 -2 2 10 43.989 87.977 0.388 2.89 2 96.0 9.0
376 -6 1 3 44.052 88.103 0.389 2.88 2 24.1 0.6
377 -4 5 1 44.062 88.124 0.389 2.88 2 26.3 0.7
378 -2 5 5 44.083 88.166 0.389 2.88 2 98.9 9.5
379 0 2 10 44.099 88.198 0.389 2.88 2 22.3 0.5
380 6 -1 1 44.102 88.204 0.389 2.88 2 6.3 0.0
381 1 -5 5 44.118 88.237 0.389 2.88 2 106.7 11.0
382 -1 5 5 44.124 88.249 0.389 2.88 2 63.3 3.9
383 -1 -2 10 44.173 88.346 0.39 2.87 2 88.0 7.5
384 1 -2 10 44.255 88.51 0.39 2.87 2 17.3 0.3
385 -4 4 6 44.308 88.616 0.39 2.87 2 53.6 2.8
386 0 3 9 44.319 88.638 0.391 2.87 2 24.3 0.6
387 3 -1 9 44.531 89.061 0.392 2.85 2 33.8 1.1
388 5 -4 2 44.559 89.118 0.392 2.85 2 108.4 11.3
389 4 -5 1 44.565 89.13 0.392 2.85 2 81.2 6.3
390 -2 -4 6 44.587 89.175 0.392 2.85 2 51.1 2.5
391 3 4 2 44.605 89.21 0.393 2.85 2 105.3 10.6
392 -1 -3 9 44.639 89.279 0.393 2.85 2 18.0 0.3
393 -3 0 10 44.679 89.359 0.393 2.84 2 65.6 4.1
394 -4 1 9 44.687 89.373 0.393 2.84 2 5.0 0.0
395 -6 0 2 44.793 89.586 0.394 2.84 2 140.4 18.8
396 1 5 3 44.825 89.65 0.394 2.84 2 39.3 1.5
397 6 0 0 44.852 89.704 0.394 2.84 2 74.9 5.4
398 -3 -3 7 44.871 89.743 0.394 2.83 2 10.5 0.1
399 0 -5 5 44.904 89.807 0.395 2.83 2 59.5 3.4
400 2 -5 5 44.917 89.834 0.395 2.83 2 37.6 1.3
401 2 0 10 44.92 89.84 0.395 2.83 2 53.0 2.7
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 0 0 6.751 13.501 7.60944 184.8 29.1 29.5 5.6
2 0 0 2 7.394 14.788 6.95056 45.3 7.1 7.2 5.6
3 -1 1 1 9.262 18.524 5.55735 33.5 5.3 5.3 5.6
4 -1 0 2 9.536 19.072 5.39906 28.4 4.5 4.5 5.6
5 1 0 2 10.516 21.032 4.90092 15.0 2.4 2.4 5.6
6 -1 -1 1 11.427 22.855 4.51464 75.0 11.8 11.9 5.6
7 2 0 0 13.597 27.194 3.80472 154.8 24.3 24.5 5.6
8 -1 1 3 13.774 27.547 3.75685 32.1 5.0 5.1 5.6
9 -2 1 1 14.048 28.096 3.68489 93.3 14.7 14.8 5.6
10 1 -1 3 14.62 29.24 3.54373 43.6 6.8 6.9 5.6
11 2 -1 1 14.677 29.353 3.53032 7.8 1.2 1.2 5.6
12 -2 0 2 14.883 29.765 3.48257 45.1 7.1 7.1 5.6
13 0 0 4 14.915 29.829 3.47528 180.1 28.3 28.4 5.6
14 -1 -1 3 15.212 30.425 3.40878 59.6 9.4 9.4 5.6
15 -1 0 4 15.807 31.613 3.28372 364.6 57.3 57.5 5.6
16 2 0 2 16.185 32.369 3.20902 28.4 4.5 4.5 5.6
17 1 1 3 16.368 32.737 3.17394 22.5 3.5 3.5 5.6
18 1 0 4 17.045 34.091 3.05144 292.8 46.0 46.1 5.7
19 -2 -1 1 17.074 34.149 3.0464 55.6 8.7 8.8 5.7
20 -2 1 3 17.132 34.263 3.03651 24.8 3.9 3.9 5.7
21 -2 2 0 17.631 35.262 2.95309 636.1 100.0 100.0 5.7
22 1 2 0 17.667 35.335 2.94725 624.3 98.1 98.1 5.7
23 2 1 1 17.722 35.445 2.9384 15.0 2.4 2.4 5.7
24 -2 2 2 18.778 37.556 2.77867 29.3 4.6 4.6 5.7
25 -1 -2 2 18.866 37.731 2.76623 23.1 3.6 3.6 5.7
26 -2 0 4 19.35 38.7 2.69953 105.6 16.6 16.6 5.7
27 0 -1 5 20.101 40.203 2.60259 51.3 8.1 8.0 5.7
28 -3 1 1 20.23 40.46 2.5867 11.0 1.7 1.7 5.7
29 -1 1 5 20.32 40.639 2.57578 43.1 6.8 6.7 5.7
30 0 1 5 20.362 40.724 2.57066 14.1 2.2 2.2 5.7
31 3 0 0 20.649 41.298 2.53648 69.1 10.9 10.8 5.7
32 -1 2 4 20.875 41.75 2.5102 37.3 5.9 5.8 5.7
33 3 -1 1 20.944 41.888 2.50228 9.3 1.5 1.4 5.7
34 0 -2 4 20.983 41.967 2.49783 36.4 5.7 5.7 5.7
35 -1 -1 5 21.268 42.536 2.4659 9.7 1.5 1.5 5.7
36 0 2 4 21.385 42.77 2.45306 164.1 25.8 25.6 5.7
37 1 -2 4 21.471 42.941 2.44372 74.3 11.7 11.6 5.7
38 -3 2 0 22.536 45.072 2.33382 53.1 8.4 8.3 5.7
39 2 2 0 22.585 45.17 2.32901 65.3 10.3 10.2 5.7
40 -2 2 4 22.676 45.351 2.32017 16.8 2.6 2.6 5.7
41 0 0 6 22.71 45.42 2.31685 27.6 4.3 4.3 5.7
42 3 0 2 22.763 45.526 2.31173 37.1 5.8 5.8 5.7
43 -1 -2 4 22.797 45.593 2.30853 11.7 1.8 1.8 5.7
44 -1 0 6 23.111 46.222 2.27878 175.3 27.6 27.2 5.7
45 -2 -2 2 23.344 46.688 2.25732 7.9 1.2 1.2 5.7
46 1 2 4 24.088 48.175 2.19158 21.1 3.3 3.3 5.7
47 2 -2 4 24.147 48.295 2.1865 17.0 2.7 2.6 5.7
48 3 -2 2 24.431 48.862 2.16263 232.8 36.6 36.1 5.7
49 -3 0 4 24.579 49.157 2.15044 24.5 3.9 3.8 5.7
50 -2 0 6 25.602 51.204 2.06994 26.3 4.1 4.1 5.8
51 -3 2 4 26.415 52.829 2.01063 30.1 4.7 4.6 5.8
52 -2 -2 4 26.54 53.08 2.00182 29.4 4.6 4.5 5.8
53 -3 3 1 27.067 54.133 1.96574 7.8 1.2 1.2 5.8
54 3 0 4 27.147 54.294 1.96036 39.8 6.3 6.1 5.8
55 0 2 6 27.76 55.52 1.92039 17.8 2.8 2.7 5.8
56 1 -2 6 27.87 55.74 1.91341 18.1 2.8 2.8 5.8
57 4 0 0 28.046 56.093 1.90236 36.1 5.7 5.5 5.8
58 2 2 4 28.51 57.02 1.87395 18.1 2.8 2.8 5.8
59 3 -2 4 28.546 57.093 1.87177 19.1 3.0 2.9 5.8
60 -4 2 0 28.636 57.271 1.86642 22.7 3.6 3.5 5.8
61 3 2 0 28.694 57.387 1.86297 21.1 3.3 3.2 5.8
62 -3 3 3 28.872 57.744 1.85245 15.5 2.4 2.4 5.8
63 -4 2 2 29.044 58.087 1.84244 29.0 4.6 4.4 5.8
64 -3 -2 2 29.139 58.279 1.83692 32.6 5.1 5.0 5.8
65 -2 -3 1 29.481 58.962 1.81751 16.4 2.6 2.5 5.8
66 -1 4 0 29.558 59.115 1.81323 225.9 35.5 34.5 5.8
67 4 0 2 29.958 59.915 1.79121 22.9 3.6 3.5 5.8
68 1 2 6 30.23 60.461 1.77656 23.4 3.7 3.6 5.8
69 2 -2 6 30.319 60.638 1.77187 25.1 3.9 3.8 5.8
70 4 -2 2 30.446 60.893 1.76516 22.8 3.6 3.5 5.8
71 0 0 8 30.981 61.962 1.73764 122.9 19.3 18.7 5.8
72 -1 0 8 31.117 62.233 1.73082 8.4 1.3 1.3 5.8
73 -2 -3 3 31.157 62.314 1.72882 9.4 1.5 1.4 5.8
74 -1 -3 5 31.388 62.776 1.71738 8.6 1.4 1.3 5.9
75 -3 2 6 31.506 63.012 1.7116 69.4 10.9 10.5 5.9
76 -4 2 4 31.617 63.234 1.70622 63.9 10.0 9.7 5.9
77 -2 -2 6 31.655 63.309 1.70439 70.3 11.1 10.7 5.9
78 -3 -2 4 31.744 63.489 1.70007 64.6 10.2 9.8 5.9
79 -4 3 1 32.037 64.074 1.68618 14.7 2.3 2.2 5.9
80 1 0 8 32.615 65.231 1.65949 10.8 1.7 1.6 5.9
81 -3 3 5 32.732 65.464 1.65423 12.6 2.0 1.9 5.9
82 -2 0 8 33.01 66.02 1.64186 6.9 1.1 1.0 5.9
83 -1 4 4 33.737 67.474 1.61054 14.0 2.2 2.1 5.9
84 4 0 4 33.881 67.762 1.60451 22.6 3.5 3.4 5.9
85 -2 4 4 34.214 68.427 1.59078 39.8 6.3 6.0 5.9
86 3 2 4 34.248 68.496 1.58938 92.0 14.5 13.9 5.9
87 0 -4 4 34.384 68.767 1.58387 34.7 5.5 5.2 5.9
88 0 4 4 34.962 69.924 1.56092 14.7 2.3 2.2 5.9
89 2 -4 4 35.071 70.143 1.55667 17.9 2.8 2.7 5.9
90 -3 -3 1 35.106 70.211 1.55535 8.1 1.3 1.2 5.9
91 -2 2 8 35.547 71.093 1.53855 21.4 3.4 3.2 5.9
92 -5 2 0 35.674 71.347 1.53379 9.0 1.4 1.3 5.9
93 -1 -2 8 35.707 71.413 1.53257 19.0 3.0 2.8 5.9
94 4 2 0 35.74 71.48 1.53133 16.6 2.6 2.5 5.9
95 -5 2 2 35.86 71.72 1.52689 13.7 2.2 2.1 5.9
96 -4 -2 2 35.96 71.921 1.5232 16.9 2.7 2.5 5.9
97 5 0 0 35.996 71.992 1.52189 24.8 3.9 3.7 5.9
98 -4 2 6 36.096 72.192 1.51825 30.3 4.8 4.5 5.9
99 -3 -2 6 36.25 72.499 1.51269 20.0 3.1 3.0 5.9
100 -3 4 4 36.361 72.723 1.50868 24.5 3.8 3.7 6.0
101 -3 0 8 36.52 73.04 1.50303 22.3 3.5 3.3 6.0
102 -1 -4 4 36.556 73.113 1.50175 19.4 3.0 2.9 6.0
103 -4 4 0 37.285 74.57 1.47655 14.3 2.2 2.1 6.0
104 2 4 0 37.371 74.743 1.47362 19.4 3.0 2.9 6.0
105 5 -2 2 37.472 74.945 1.47024 7.0 1.1 1.0 6.0
106 4 2 2 37.503 75.007 1.4692 8.6 1.3 1.3 6.0
107 1 2 8 37.674 75.348 1.46352 57.7 9.1 8.6 6.0
108 2 -2 8 37.787 75.575 1.45978 76.0 12.0 11.3 6.0
109 5 0 2 37.859 75.717 1.45745 15.6 2.5 2.3 6.0
110 3 -4 4 37.893 75.787 1.45632 14.9 2.3 2.2 6.0
111 -5 2 4 38.02 76.04 1.4522 7.4 1.2 1.1 6.0
112 -4 -2 4 38.152 76.303 1.44795 9.5 1.5 1.4 6.0
113 -5 0 4 38.196 76.391 1.44653 52.7 8.3 7.8 6.0
114 -2 4 6 38.966 77.932 1.42236 17.5 2.7 2.6 6.0
115 0 -4 6 39.194 78.389 1.41539 18.6 2.9 2.7 6.0
116 -4 4 4 40.076 80.152 1.38934 14.4 2.3 2.1 6.0
117 3 0 8 40.658 81.316 1.37284 28.1 4.4 4.1 6.1
118 2 -5 3 40.941 81.882 1.365 7.7 1.2 1.1 6.1
119 5 -2 4 41.166 82.332 1.35886 12.7 2.0 1.9 6.1
120 0 -5 3 41.267 82.533 1.35614 7.7 1.2 1.1 6.1
121 5 0 4 41.611 83.222 1.34694 74.8 11.8 10.9 6.1
122 3 -2 8 41.688 83.375 1.34491 16.4 2.6 2.4 6.1
123 -5 0 6 42.159 84.319 1.33264 12.8 2.0 1.9 6.1
124 -4 2 8 42.272 84.544 1.32975 18.1 2.8 2.6 6.1
125 -3 -2 8 42.452 84.905 1.32517 9.6 1.5 1.4 6.1
126 -2 2 10 43.989 87.977 1.28789 9.0 1.4 1.3 6.2
127 -2 5 5 44.083 88.166 1.2857 10.0 1.6 1.4 6.2
128 1 -5 5 44.118 88.237 1.28488 14.9 2.3 2.1 6.2
129 -1 -2 10 44.173 88.346 1.28362 7.5 1.2 1.1 6.2
130 5 -4 2 44.559 89.118 1.27481 21.2 3.3 3.1 6.2
131 3 4 2 44.605 89.21 1.27377 10.6 1.7 1.5 6.2
132 -6 0 2 44.793 89.586 1.26955 18.8 3.0 2.7 6.2
133 6 0 0 44.852 89.704 1.26824 6.8 1.1 1.0 6.2
134 0 -5 5 44.904 89.807 1.26709 7.4 1.2 1.1 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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