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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ILVAITE
8, t-ilvaite, syn, at 380'K, f-ilvaite
CaFe(3)Si(2)O(7)O(OH)
Orthorhombic P nam Z = 4
R =0.028 NR =1911
6 .10 .1992
Ref.Str.:
Ghose S., Tsukimura K., Hatch D.M. (1989)
* Phys. Chem. Minerals, 16, 5, 483-496
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.0533 alpha = 90.0
b = 8.8345 beta = 90.0
c = 5.8674 gamma = 90.0
Unit cell volume (cub. angs.) = 676.62
Molar volume ( cub.cm/mol.) = 101.89
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.8903 0.0507 0.0066 0.89 Fe = 1.00
2 0.9403 0.7394 0.25 0.95 Fe = 1.00
3 0.813 0.3706 0.75 0.97 Ca = 1.00
4 0.9596 0.3681 0.25 0.63 Si = 1.00
5 0.6794 0.227 0.25 0.63 Si = 1.00
6 0.0102 0.0293 0.75 1.31 O = 1.00
7 0.9363 0.2719 0.0166 0.91 O = 1.00
8 0.7771 0.1097 0.25 0.94 O = 1.00
9 0.6711 0.3295 0.0185 0.98 O = 1.00
10 0.5848 0.1013 0.25 0.89 O = 1.00
11 0.6019 0.0243 0.75 1.27 O = 1.00
12 0.7976 0.1088 0.75 0.88 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.8903 0.0507 0.0066
2 2 0.9403 0.7394 0.25
3 3 0.813 0.3706 0.75
4 4 0.9596 0.3681 0.25
5 5 0.6794 0.227 0.25
6 6 0.0102 0.0293 0.75
7 7 0.9363 0.2719 0.0166
8 8 0.7771 0.1097 0.25
9 9 0.6711 0.3295 0.0185
10 10 0.5848 0.1013 0.25
11 11 0.6019 0.0243 0.75
12 12 0.7976 0.1088 0.75
13 1 0.1097 0.9492 0.9934
14 2 0.0597 0.2606 0.75
15 3 0.187 0.6294 0.25
16 4 0.0404 0.6319 0.75
17 5 0.3206 0.773 0.75
18 6 0.9898 0.9707 0.25
19 7 0.0637 0.7281 0.9834
20 8 0.2229 0.8903 0.75
21 9 0.3289 0.6705 0.9815
22 10 0.4152 0.8987 0.75
23 11 0.3981 0.9757 0.25
24 12 0.2024 0.8912 0.25
25 1 0.3903 0.4492 0.0066
26 2 0.4404 0.7606 0.25
27 3 0.313 0.1294 0.75
28 4 0.4596 0.1319 0.25
29 5 0.1794 0.273 0.25
30 6 0.5102 0.4707 0.75
31 7 0.4363 0.2281 0.0166
32 8 0.2771 0.3903 0.25
33 9 0.1711 0.1705 0.0185
34 10 0.0848 0.3987 0.25
35 11 0.1019 0.4757 0.75
36 12 0.2976 0.3912 0.75
37 1 0.6097 0.5508 0.9934
38 2 0.5597 0.2394 0.75
39 3 0.687 0.8706 0.25
40 4 0.5404 0.8681 0.75
41 5 0.8206 0.727 0.75
42 6 0.4898 0.5293 0.25
43 7 0.5637 0.7719 0.9834
44 8 0.7229 0.6097 0.75
45 9 0.8289 0.8295 0.9815
46 10 0.9152 0.6013 0.75
47 11 0.8981 0.5243 0.25
48 12 0.7024 0.6088 0.25
49 1 0.1097 0.9492 0.5066
50 7 0.0637 0.7281 0.5166
51 9 0.3289 0.6705 0.5185
52 1 0.8903 0.0508 0.4934
53 7 0.9363 0.2719 0.4834
54 9 0.6711 0.3295 0.4815
55 1 0.6097 0.5508 0.5066
56 7 0.5637 0.7719 0.5166
57 9 0.8289 0.8295 0.5185
58 1 0.3903 0.4492 0.4934
59 7 0.4363 0.2281 0.4834
60 9 0.1711 0.1705 0.4815
X-ray density (g/cm cub.) = 4.01
MU (1/cm) = 259.147 Mass attenuation coefficient (cm**2/g) = 64.599
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 2.64 6
2.1804 6
2.0447 7
2.1199 8
1.9984 12
2.0559 6
2.1177 9
2 Fe 2.64 6
2.1427 6
2.2471 7
2.2869 9
1.9792 11
2.2471 7
2.2869 9
3 Ca 2.928 7
2.4081 7
2.4588 9
2.3213 12
2.4174 8
2.4363 10
2.4081 7
2.4588 9
4 Si 2.148 4
1.64 7
1.6569 10
1.5962 11
1.64 7
5 Si 2.148 4
1.6429 8
1.6358 9
1.6609 10
1.6358 9
6 O 3.312 12
2.8232 7
2.8625 12
2.9909 6
2.9909 6
3.0727 7
3.0364 8
2.9066 9
3.2497 9
3.0727 7
2.8232 7
3.2497 9
2.9066 9
7 O 3.312 10
2.8232 6
2.8722 8
2.7931 12
3.0727 6
3.1925 9
2.6244 10
3.2192 11
2.6638 11
2.7384 7
3.129 7
8 O 3.312 10
2.8722 7
2.7439 9
2.5105 10
2.946 12
2.946 12
3.0364 6
3.0114 9
2.8722 7
2.7439 9
3.0114 9
9 O 3.312 11
2.7439 8
2.6787 10
3.2507 11
3.0019 12
2.9066 6
3.1925 7
3.2497 6
3.0114 8
2.8463 12
2.7166 9
3.1508 9
10 O 3.312 8
2.5105 8
2.6787 9
3.0199 11
3.0199 11
2.6779 11
2.6244 7
2.6787 9
2.6244 7
11 O 3.312 10
3.2507 9
3.0199 10
3.0199 10
2.6615 12
2.6779 10
3.2192 7
2.6638 7
3.2507 9
2.6638 7
3.2192 7
12 OH 3.36 10
2.8625 6
2.7931 7
2.946 8
2.946 8
3.0019 9
2.6615 11
2.8463 9
2.7931 7
3.0019 9
2.8463 9
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 1 0 7.022 14.045 0.068 130.85 4 83.7 801.1
2 2 0 0 7.877 15.754 0.077 103.54 2 78.8 280.9
3 2 1 0 9.81 19.621 0.095 65.97 4 5.0 1.4
4 0 1 1 10.545 21.09 0.102 56.81 4 38.3 72.9
5 1 1 1 11.269 22.538 0.109 49.48 8 37.4 120.8
6 0 2 0 11.683 23.366 0.113 45.89 2 8.3 1.4
7 2 0 1 11.829 23.658 0.115 44.71 4 7.1 2.0
8 1 2 0 12.344 24.687 0.119 40.89 4 36.3 47.1
9 2 1 1 13.217 26.433 0.128 35.41 8 30.3 56.9
10 3 1 0 13.247 26.494 0.128 35.24 4 77.3 183.9
11 2 2 0 14.153 28.306 0.137 30.62 4 4.8 0.6
12 1 2 1 15.222 30.444 0.147 26.21 8 34.9 55.9
13 4 0 0 15.908 31.816 0.153 23.83 2 141.7 209.0
14 3 1 1 15.976 31.951 0.154 23.62 8 39.3 63.9
15 2 2 1 16.747 33.493 0.161 21.33 8 3.0 0.3
16 3 2 0 16.771 33.543 0.161 21.26 4 72.4 97.4
17 4 1 0 16.989 33.979 0.163 20.67 4 6.8 0.8
18 0 0 2 17.752 35.503 0.17 18.78 2 83.6 57.4
19 1 3 0 18.142 36.284 0.174 17.91 4 142.4 317.2
20 4 0 1 18.278 36.557 0.175 17.61 4 230.5 817.8
21 3 2 1 19.047 38.094 0.182 16.09 8 75.9 161.8
22 1 1 2 19.177 38.354 0.184 15.85 8 172.8 827.0
23 4 1 1 19.243 38.486 0.184 15.73 8 4.1 0.5
24 2 3 0 19.465 38.929 0.186 15.33 4 206.9 573.5
25 2 0 2 19.529 39.057 0.187 15.22 4 10.0 1.3
26 0 3 1 19.868 39.735 0.19 14.65 4 29.7 11.3
27 4 2 0 19.924 39.849 0.19 14.56 4 102.7 134.0
28 1 3 1 20.285 40.57 0.194 13.99 8 47.8 55.9
29 2 1 2 20.443 40.886 0.195 13.75 8 89.6 192.8
30 5 1 0 20.932 41.865 0.2 13.04 4 84.2 80.7
31 0 2 2 21.47 42.939 0.205 12.32 4 123.6 164.5
32 2 3 1 21.496 42.993 0.205 12.29 8 113.3 275.7
33 3 3 0 21.516 43.033 0.205 12.26 4 17.0 3.1
34 1 2 2 21.862 43.723 0.208 11.83 8 15.0 4.6
35 4 2 1 21.921 43.842 0.209 11.76 8 108.2 240.6
36 3 1 2 22.421 44.841 0.213 11.18 8 114.9 257.7
37 5 1 1 22.857 45.714 0.217 10.7 8 22.1 9.1
38 2 2 2 23.006 46.012 0.218 10.54 8 20.5 7.8
39 3 3 1 23.402 46.805 0.222 10.14 8 38.1 25.8
40 5 2 0 23.452 46.904 0.222 10.09 4 0.5 0.0
41 0 4 0 23.89 47.78 0.226 9.68 2 51.2 11.1
42 4 3 0 24.15 48.3 0.229 9.44 4 19.4 3.1
43 4 0 2 24.204 48.408 0.229 9.4 4 181.4 270.0
44 1 4 0 24.251 48.503 0.23 9.36 4 136.0 151.1
45 6 0 0 24.277 48.553 0.23 9.33 2 67.3 18.4
46 3 2 2 24.821 49.642 0.235 8.87 8 72.8 82.3
47 4 1 2 24.98 49.96 0.236 8.75 8 166.4 423.4
48 6 1 0 25.051 50.102 0.237 8.69 4 14.7 1.6
49 5 2 1 25.225 50.451 0.238 8.55 8 24.0 8.6
50 2 4 0 25.312 50.624 0.239 8.49 4 116.9 101.3
51 1 3 2 25.835 51.671 0.244 8.1 8 5.1 0.4
52 4 3 1 25.888 51.775 0.244 8.06 8 13.3 2.5
53 1 4 1 25.984 51.968 0.245 8.0 8 14.8 3.1
54 6 0 1 26.008 52.016 0.245 7.98 4 29.5 6.1
55 6 1 1 26.746 53.491 0.252 7.49 8 28.4 10.5
56 2 3 2 26.85 53.701 0.252 7.42 8 3.5 0.2
57 2 4 1 26.995 53.99 0.254 7.33 8 78.6 79.2
58 3 4 0 27.012 54.023 0.254 7.32 4 127.7 104.2
59 4 2 2 27.211 54.421 0.256 7.2 8 96.5 117.1
60 5 3 0 27.25 54.499 0.256 7.17 4 44.4 12.3
61 6 2 0 27.278 54.555 0.256 7.16 4 45.7 13.1
62 0 1 3 27.931 55.862 0.262 6.78 4 65.7 25.6
63 5 1 2 28.013 56.027 0.263 6.74 8 139.4 228.8
64 1 1 3 28.255 56.51 0.265 6.61 8 20.7 4.9
65 3 3 2 28.486 56.972 0.267 6.49 8 6.0 0.4
66 2 0 3 28.518 57.035 0.267 6.47 4 12.6 0.9
67 3 4 1 28.625 57.25 0.268 6.42 8 26.1 7.6
68 5 3 1 28.854 57.708 0.27 6.3 8 55.0 33.3
69 6 2 1 28.881 57.762 0.27 6.29 8 47.9 25.2
70 2 1 3 29.212 58.425 0.273 6.13 8 26.6 7.6
71 4 4 0 29.276 58.552 0.273 6.1 4 58.0 17.9
72 7 1 0 29.356 58.712 0.274 6.06 4 49.5 13.0
73 5 2 2 30.089 60.178 0.28 5.74 8 16.8 2.8
74 1 2 3 30.32 60.64 0.282 5.64 8 36.1 12.8
75 0 4 2 30.459 60.918 0.283 5.58 4 57.3 16.0
76 4 3 2 30.68 61.36 0.285 5.49 8 27.3 7.2
77 1 5 0 30.72 61.441 0.286 5.48 4 6.3 0.2
78 6 3 0 30.742 61.484 0.286 5.47 4 22.2 2.4
79 1 4 2 30.766 61.532 0.286 5.46 8 103.3 101.8
80 3 1 3 30.766 61.532 0.286 5.46 8 45.4 19.6
81 6 0 2 30.788 61.575 0.286 5.45 4 65.7 20.6
82 4 4 1 30.813 61.625 0.286 5.44 8 35.1 11.7
83 7 1 1 30.89 61.78 0.287 5.41 8 6.6 0.4
84 2 2 3 31.238 62.476 0.29 5.28 8 18.4 3.1
85 7 2 0 31.376 62.752 0.291 5.23 4 173.9 138.1
86 6 1 2 31.451 62.903 0.292 5.2 8 18.2 3.0
87 2 5 0 31.631 63.263 0.293 5.13 4 50.0 11.2
88 2 4 2 31.676 63.353 0.294 5.12 8 32.7 9.6
89 0 5 1 31.917 63.834 0.296 5.03 4 45.2 9.0
90 5 4 0 32.037 64.075 0.297 4.99 4 40.7 7.2
91 1 5 1 32.216 64.432 0.298 4.93 8 25.0 5.4
92 4 0 3 32.221 64.442 0.298 4.93 4 140.8 85.4
93 6 3 1 32.237 64.473 0.298 4.93 8 109.1 102.5
94 3 2 3 32.735 65.471 0.302 4.77 8 37.8 11.9
95 7 2 1 32.855 65.71 0.303 4.73 8 8.3 0.6
96 4 1 3 32.868 65.737 0.303 4.72 8 8.6 0.6
97 2 5 1 33.104 66.208 0.305 4.65 8 112.5 102.9
98 3 5 0 33.119 66.238 0.305 4.65 4 6.2 0.2
99 3 4 2 33.163 66.326 0.306 4.64 8 116.9 110.6
100 8 0 0 33.243 66.486 0.306 4.61 2 101.7 20.8
101 0 3 3 33.299 66.599 0.307 4.6 4 19.5 1.5
102 5 3 2 33.373 66.747 0.308 4.57 8 139.8 156.3
103 6 2 2 33.398 66.796 0.308 4.57 8 54.1 23.3
104 5 4 1 33.5 67.001 0.309 4.54 8 3.2 0.1
105 1 3 3 33.592 67.184 0.309 4.51 8 55.9 24.6
106 8 1 0 33.88 67.761 0.312 4.43 4 52.7 10.7
107 2 3 3 34.462 68.924 0.316 4.28 8 93.7 65.6
108 3 5 1 34.558 69.117 0.317 4.25 8 21.9 3.6
109 7 3 0 34.593 69.187 0.317 4.24 4 17.7 1.2
110 8 0 1 34.68 69.36 0.318 4.22 4 19.3 1.4
111 4 2 3 34.774 69.548 0.319 4.2 8 74.4 40.7
112 4 5 0 35.147 70.293 0.322 4.11 4 22.0 1.7
113 4 4 2 35.189 70.379 0.322 4.1 8 3.5 0.1
114 6 4 0 35.247 70.494 0.323 4.09 4 74.4 19.7
115 7 1 2 35.262 70.523 0.323 4.08 8 2.4 0.0
116 8 1 1 35.305 70.61 0.323 4.07 8 47.8 16.3
117 5 1 3 35.475 70.949 0.324 4.03 8 18.6 2.4
118 8 2 0 35.76 71.52 0.327 3.97 4 201.4 140.8
119 3 3 3 35.89 71.781 0.328 3.94 8 19.4 2.6
120 7 3 1 36.005 72.01 0.329 3.92 8 12.6 1.1
121 1 5 2 36.507 73.013 0.333 3.82 8 14.7 1.4
122 6 3 2 36.526 73.053 0.333 3.81 8 208.2 288.7
123 4 5 1 36.549 73.099 0.333 3.81 8 29.1 5.6
124 6 4 1 36.648 73.296 0.334 3.79 8 27.7 5.1
125 7 2 2 37.111 74.222 0.337 3.7 8 25.4 4.2
126 8 2 1 37.153 74.307 0.338 3.69 8 2.8 0.1
127 5 2 3 37.319 74.639 0.339 3.66 8 20.5 2.7
128 2 5 2 37.347 74.694 0.339 3.66 8 239.8 367.4
129 0 6 0 37.407 74.815 0.34 3.65 2 97.5 15.2
130 0 0 4 37.574 75.148 0.341 3.62 2 372.2 218.9
131 5 5 0 37.682 75.364 0.342 3.6 4 17.7 1.0
132 1 6 0 37.686 75.371 0.342 3.6 4 106.3 35.5
133 5 4 2 37.723 75.447 0.342 3.59 8 40.4 10.3
134 4 3 3 37.852 75.705 0.343 3.57 8 25.2 4.0
135 1 4 3 37.931 75.861 0.344 3.56 8 23.3 3.4
136 6 0 3 37.95 75.9 0.344 3.55 4 35.3 3.9
137 1 1 4 38.456 76.913 0.348 3.47 8 45.7 12.7
138 2 6 0 38.517 77.034 0.348 3.46 4 40.3 4.9
139 6 1 3 38.554 77.108 0.348 3.46 8 27.0 4.4
140 9 1 0 38.68 77.36 0.349 3.44 4 137.5 56.8
141 2 0 4 38.682 77.363 0.349 3.44 4 43.7 5.7
142 3 5 2 38.733 77.466 0.35 3.43 8 44.5 11.9
143 2 4 3 38.76 77.52 0.35 3.42 8 40.7 9.9
144 8 3 0 38.808 77.616 0.35 3.42 4 31.2 2.9
145 8 0 2 38.849 77.698 0.351 3.41 4 164.4 80.6
146 7 4 0 38.886 77.771 0.351 3.41 4 105.1 32.9
147 5 5 1 39.05 78.1 0.352 3.38 8 14.5 1.2
148 1 6 1 39.054 78.108 0.352 3.38 8 29.3 5.1
149 2 1 4 39.282 78.565 0.354 3.35 8 2.6 0.0
150 8 1 2 39.449 78.898 0.355 3.33 8 35.0 7.1
151 2 6 1 39.876 79.753 0.358 3.27 8 7.6 0.3
152 3 6 0 39.89 79.78 0.358 3.27 4 104.9 31.4
153 0 2 4 39.98 79.961 0.359 3.26 4 2.1 0.0
154 9 1 1 40.038 80.076 0.36 3.25 8 28.1 4.5
155 7 3 2 40.123 80.247 0.36 3.24 8 3.1 0.1
156 3 4 3 40.131 80.262 0.36 3.24 8 24.3 3.3
157 8 3 1 40.165 80.329 0.361 3.23 8 8.9 0.4
158 7 4 1 40.242 80.483 0.361 3.22 8 7.6 0.3
159 1 2 4 40.253 80.507 0.361 3.22 8 21.2 2.5
160 5 3 3 40.327 80.654 0.362 3.21 8 53.6 16.2
161 6 2 3 40.35 80.7 0.362 3.21 8 19.5 2.1
162 9 2 0 40.474 80.948 0.363 3.2 4 17.1 0.8
163 3 1 4 40.649 81.297 0.364 3.18 8 43.0 10.3
164 4 5 2 40.649 81.299 0.364 3.18 8 61.2 20.8
165 6 5 0 40.704 81.409 0.365 3.17 4 168.9 79.0
166 6 4 2 40.745 81.49 0.365 3.17 8 16.0 1.4
167 2 2 4 41.07 82.14 0.367 3.13 8 3.1 0.1
168 8 2 2 41.235 82.47 0.368 3.11 8 1.7 0.0
169 3 6 1 41.238 82.476 0.368 3.11 8 62.5 21.2
170 4 6 0 41.794 83.587 0.373 3.06 4 24.0 1.5
171 9 2 1 41.818 83.636 0.373 3.06 8 8.6 0.4
172 4 0 4 41.955 83.911 0.374 3.04 4 82.3 18.0
173 4 4 3 42.032 84.065 0.374 3.04 8 20.8 2.3
174 6 5 1 42.047 84.094 0.374 3.03 8 62.5 20.7
175 7 1 3 42.101 84.202 0.375 3.03 8 24.9 3.3
176 3 2 4 42.424 84.848 0.377 3.0 8 43.9 10.1
177 4 1 4 42.546 85.091 0.378 2.99 8 2.3 0.0
178 0 6 2 42.82 85.64 0.38 2.97 4 33.6 2.9
179 8 4 0 42.966 85.931 0.381 2.96 4 5.7 0.1
180 0 5 3 43.018 86.035 0.381 2.95 4 50.3 6.5
181 5 5 2 43.086 86.172 0.382 2.95 8 16.7 1.4
182 1 6 2 43.09 86.179 0.382 2.95 8 4.5 0.1
183 4 6 1 43.131 86.261 0.382 2.94 8 41.2 8.7
184 1 3 4 43.211 86.421 0.383 2.94 8 89.1 40.8
185 10 0 0 43.254 86.508 0.383 2.93 2 68.0 5.9
186 1 5 3 43.287 86.574 0.383 2.93 8 9.5 0.5
187 6 3 3 43.306 86.612 0.383 2.93 8 85.1 37.1
188 9 3 0 43.429 86.858 0.384 2.92 4 20.1 1.0
189 10 1 0 43.842 87.685 0.387 2.89 4 78.1 15.4
190 7 2 3 43.868 87.735 0.387 2.89 8 12.8 0.8
191 2 6 2 43.898 87.796 0.388 2.89 8 20.5 2.1
192 2 3 4 44.019 88.037 0.388 2.88 8 136.0 93.2
193 9 1 2 44.057 88.114 0.389 2.88 8 48.0 11.6
194 2 5 3 44.095 88.19 0.389 2.88 8 104.0 54.4
195 8 3 2 44.182 88.364 0.39 2.87 8 79.8 32.0
196 7 5 0 44.218 88.436 0.39 2.87 4 37.7 3.6
197 5 6 0 44.222 88.443 0.39 2.87 4 35.8 3.2
198 7 4 2 44.258 88.516 0.39 2.87 8 47.6 11.4
199 8 4 1 44.299 88.598 0.39 2.87 8 33.9 5.8
200 4 2 4 44.31 88.621 0.39 2.87 8 65.4 21.4
201 5 4 3 44.459 88.918 0.392 2.86 8 21.8 2.4
202 10 0 1 44.587 89.174 0.392 2.85 4 65.2 10.6
203 9 3 1 44.761 89.522 0.394 2.84 8 51.1 13.0
204 5 1 4 44.97 89.94 0.395 2.83 8 67.6 22.6
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 1 0 7.022 14.045 7.31634 801.1 96.9 98.7 5.6
2 2 0 0 7.877 15.754 6.52665 280.9 34.0 34.6 5.6
3 0 1 1 10.545 21.09 4.88765 72.9 8.8 8.9 5.6
4 1 1 1 11.269 22.538 4.57729 120.8 14.6 14.8 5.6
5 1 2 0 12.344 24.687 4.18417 47.1 5.7 5.8 5.6
6 2 1 1 13.217 26.433 3.91223 56.9 6.9 7.0 5.6
7 3 1 0 13.247 26.494 3.90336 183.9 22.2 22.5 5.6
8 1 2 1 15.222 30.444 3.40667 55.9 6.8 6.8 5.6
9 4 0 0 15.908 31.816 3.26332 209.0 25.3 25.4 5.6
10 3 1 1 15.976 31.951 3.2499 63.9 7.7 7.8 5.6
11 3 2 0 16.771 33.543 3.09982 97.4 11.8 11.8 5.7
12 0 0 2 17.752 35.503 2.9337 57.4 6.9 7.0 5.7
13 1 3 0 18.142 36.284 2.87264 317.2 38.4 38.4 5.7
14 4 0 1 18.278 36.557 2.8519 817.8 98.9 99.1 5.7
15 3 2 1 19.047 38.094 2.74083 161.8 19.6 19.6 5.7
16 1 1 2 19.177 38.354 2.72295 827.0 100.0 100.0 5.7
17 2 3 0 19.465 38.929 2.68425 573.5 69.3 69.3 5.7
18 0 3 1 19.868 39.735 2.63194 11.3 1.4 1.4 5.7
19 4 2 0 19.924 39.849 2.62474 134.0 16.2 16.2 5.7
20 1 3 1 20.285 40.57 2.58002 55.9 6.8 6.7 5.7
21 2 1 2 20.443 40.886 2.56092 192.8 23.3 23.3 5.7
22 5 1 0 20.932 41.865 2.50363 80.7 9.8 9.7 5.7
23 2 3 1 21.496 42.993 2.44094 443.3 53.6 53.4 5.7
24 4 2 1 21.921 43.842 2.39594 240.6 29.1 28.9 5.7
25 3 1 2 22.421 44.841 2.34518 257.7 31.2 30.9 5.7
26 5 1 1 22.857 45.714 2.30276 9.1 1.1 1.1 5.7
27 3 3 1 23.402 46.805 2.252 25.8 3.1 3.1 5.7
28 0 4 0 23.89 47.78 2.20863 11.1 1.3 1.3 5.7
29 4 0 2 24.204 48.408 2.1817 270.0 32.7 32.3 5.7
30 1 4 0 24.251 48.503 2.17767 169.6 20.5 20.3 5.7
31 3 2 2 24.821 49.642 2.13075 82.3 9.9 9.8 5.7
32 4 1 2 24.98 49.96 2.11807 423.4 51.2 50.6 5.7
33 5 2 1 25.225 50.451 2.09878 8.6 1.0 1.0 5.8
34 2 4 0 25.312 50.624 2.09208 101.3 12.2 12.1 5.8
35 6 0 1 26.008 52.016 2.03984 9.1 1.1 1.1 5.8
36 6 1 1 26.746 53.491 1.98755 10.5 1.3 1.3 5.8
37 3 4 0 27.012 54.023 1.96943 183.4 22.2 21.8 5.8
38 4 2 2 27.211 54.421 1.95612 117.1 14.2 13.9 5.8
39 6 2 0 27.278 54.555 1.95168 25.4 3.1 3.0 5.8
40 0 1 3 27.931 55.862 1.90957 25.6 3.1 3.0 5.8
41 5 1 2 28.013 56.027 1.90441 228.8 27.7 27.1 5.8
42 5 3 1 28.854 57.708 1.85349 58.5 7.1 6.9 5.8
43 4 4 0 29.276 58.552 1.82909 17.9 2.2 2.1 5.8
44 7 1 0 29.356 58.712 1.82456 13.0 1.6 1.5 5.8
45 1 2 3 30.32 60.64 1.7718 12.8 1.6 1.5 5.8
46 0 4 2 30.459 60.918 1.76449 16.0 1.9 1.9 5.8
47 3 1 3 30.766 61.532 1.74858 156.1 18.9 18.3 5.8
48 7 2 0 31.376 62.752 1.71795 138.1 16.7 16.2 5.9
49 2 5 0 31.631 63.263 1.70551 11.2 1.4 1.3 5.9
50 2 4 2 31.676 63.353 1.70334 9.6 1.2 1.1 5.9
51 0 5 1 31.917 63.834 1.69185 9.0 1.1 1.1 5.9
52 6 3 1 32.237 64.473 1.67685 193.3 23.4 22.6 5.9
53 3 2 3 32.735 65.471 1.65408 11.9 1.4 1.4 5.9
54 2 5 1 33.104 66.208 1.63772 103.0 12.5 12.0 5.9
55 3 4 2 33.163 66.326 1.63515 110.6 13.4 12.9 5.9
56 8 0 0 33.243 66.486 1.63166 20.8 2.5 2.4 5.9
57 5 3 2 33.373 66.747 1.62601 179.6 21.7 20.9 5.9
58 1 3 3 33.592 67.184 1.61667 24.6 3.0 2.9 5.9
59 8 1 0 33.88 67.761 1.60453 10.7 1.3 1.2 5.9
60 2 3 3 34.462 68.924 1.58071 65.6 7.9 7.6 5.9
61 4 2 3 34.774 69.548 1.56829 40.7 4.9 4.7 5.9
62 6 4 0 35.247 70.494 1.54991 19.8 2.4 2.3 5.9
63 8 1 1 35.305 70.61 1.5477 16.3 2.0 1.9 5.9
64 8 2 0 35.76 71.52 1.53058 140.8 17.0 16.3 5.9
65 6 3 2 36.526 73.053 1.50281 295.8 35.8 34.1 6.0
66 2 5 2 37.347 74.694 1.47445 370.1 44.7 42.5 6.0
67 0 6 0 37.407 74.815 1.47242 15.2 1.8 1.7 6.0
68 0 0 4 37.574 75.148 1.46685 218.9 26.5 25.1 6.0
69 1 6 0 37.686 75.371 1.46314 35.5 4.3 4.1 6.0
70 5 4 2 37.723 75.447 1.4619 10.3 1.2 1.2 6.0
71 1 1 4 38.456 76.913 1.43823 12.7 1.5 1.4 6.0
72 9 1 0 38.68 77.36 1.43121 62.5 7.6 7.1 6.0
73 3 5 2 38.733 77.466 1.42956 21.8 2.6 2.5 6.0
74 8 0 2 38.849 77.698 1.42595 80.6 9.7 9.2 6.0
75 7 4 0 38.886 77.771 1.42483 32.9 4.0 3.7 6.0
76 3 6 0 39.89 79.78 1.39472 31.4 3.8 3.6 6.0
77 5 3 3 40.327 80.654 1.38215 18.3 2.2 2.1 6.1
78 4 5 2 40.649 81.299 1.37308 31.1 3.8 3.5 6.1
79 6 5 0 40.704 81.409 1.37154 79.0 9.6 8.9 6.1
80 3 6 1 41.238 82.476 1.35691 21.2 2.6 2.4 6.1
81 4 0 4 41.955 83.911 1.3379 18.0 2.2 2.0 6.1
82 6 5 1 42.047 84.094 1.33554 23.0 2.8 2.6 6.1
83 3 2 4 42.424 84.848 1.32589 10.1 1.2 1.1 6.1
84 4 6 1 43.131 86.261 1.30833 8.7 1.1 1.0 6.1
85 1 3 4 43.211 86.421 1.30639 40.8 4.9 4.6 6.1
86 6 3 3 43.306 86.612 1.30408 37.1 4.5 4.1 6.1
87 10 1 0 43.842 87.685 1.29131 16.3 2.0 1.8 6.2
88 2 3 4 44.019 88.037 1.28719 93.2 11.3 10.4 6.2
89 9 1 2 44.057 88.114 1.2863 11.6 1.4 1.3 6.2
90 2 5 3 44.095 88.19 1.28542 54.4 6.6 6.0 6.2
91 8 3 2 44.182 88.364 1.28341 32.0 3.9 3.6 6.2
92 7 4 2 44.258 88.516 1.28166 11.4 1.4 1.3 6.2
93 4 2 4 44.31 88.621 1.28046 27.2 3.3 3.0 6.2
94 10 0 1 44.587 89.174 1.27418 10.6 1.3 1.2 6.2
95 9 3 1 44.761 89.522 1.27026 13.0 1.6 1.4 6.2
96 5 1 4 44.97 89.94 1.26562 22.6 2.7 2.5 6.2
Reference:
Chichagov A.V. et al.
Information-Calculating System on Crystal Structure Data of Minerals
(MINCRYST)
- Kristallographiya, v.35, n.3, 1990, p.610-616 (in Russian)
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