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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DIOPSIDE
102, t-diopside, at 1atm, f-pyroxenes, sf-Ca-Na-pyroxenes, s-diopside
CaMgSi(2)O(6)
Monoclinic C 2/c Z = 4
C2/c
12 .12 .8
Ref.Str.:
Thompson R.M., Downs R.T. (2008)
* Amer. Mineral., 38, 183-189
R: Crystal structure of diopside at pressure to 10 GPa.
From DeKalb, New York. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.7397 alpha = 90.0
b = 8.9174 beta = 105.87
c = 5.2503 gamma = 90.0
Unit cell volume (cub. angs.) = 438.63
Molar volume ( cub.cm/mol.) = 66.05
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.9081 0.25 0.31 Mg = 1.00
2 0.0 0.3015 0.25 0.65 Ca = 1.00
3 0.2862 0.0932 0.2294 0.34 Si = 1.00
4 0.1155 0.0869 0.1419 0.55 O = 1.00
5 0.3609 0.2502 0.3178 0.62 O = 1.00
6 0.3507 0.0174 0.9954 0.56 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.9081 0.25
2 2 0.0 0.3015 0.25
3 3 0.2862 0.0932 0.2294
4 4 0.1155 0.0869 0.1419
5 5 0.3609 0.2502 0.3178
6 6 0.3507 0.0174 0.9954
7 1 0.0 0.0919 0.75
8 2 0.0 0.6985 0.75
9 3 0.7138 0.9068 0.7706
10 4 0.8845 0.9131 0.8581
11 5 0.6391 0.7498 0.6822
12 6 0.6493 0.9826 0.0046
13 3 0.2862 0.9068 0.7294
14 4 0.1155 0.9131 0.6419
15 5 0.3609 0.7498 0.8178
16 6 0.3507 0.9826 0.4954
17 3 0.7138 0.0932 0.2706
18 4 0.8845 0.0869 0.3581
19 5 0.6391 0.2502 0.1822
20 6 0.6493 0.0174 0.5046
21 1 0.5 0.5919 0.75
22 2 0.5 0.1985 0.75
23 3 0.7862 0.4068 0.7294
24 4 0.6155 0.4131 0.6419
25 5 0.8609 0.2498 0.8178
26 6 0.8507 0.4826 0.4954
27 1 0.5 0.4081 0.25
28 2 0.5 0.8015 0.25
29 3 0.2138 0.5932 0.2706
30 4 0.3845 0.5869 0.3581
31 5 0.1391 0.7502 0.1822
32 6 0.1493 0.5174 0.5046
33 3 0.7862 0.5932 0.2294
34 4 0.6155 0.5869 0.1419
35 5 0.8609 0.7502 0.3178
36 6 0.8507 0.5174 0.9954
37 3 0.2138 0.4068 0.7706
38 4 0.3845 0.4131 0.8581
39 5 0.1391 0.2498 0.6822
40 6 0.1493 0.4826 0.0046
X-ray density (g/cm cub.) = 3.28
MU (1/cm) = 180.734 Mass attenuation coefficient (cm**2/g) = 55.133
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mg 2.52 6
2.1168 4
2.058 4
2.058 4
2.1168 4
2.0511 5
2.0511 5
2 Ca 2.88 8
2.3663 4
2.3663 4
2.3487 5
2.7214 6
2.5586 6
2.5586 6
2.3487 5
2.7214 6
3 Si 2.1 4
1.5997 4
1.5877 5
1.668 6
1.6852 6
4 O 3.264 11
2.7348 5
2.6805 6
2.8024 4
3.0485 4
3.0485 4
2.6896 6
2.7843 4
2.9745 5
3.0144 5
3.1396 5
2.879 5
5 O 3.264 10
2.7348 4
2.6626 6
2.5742 6
2.9829 5
2.9745 4
3.0144 4
3.1396 4
2.879 4
3.2547 5
3.065 6
6 O 3.264 8
2.6805 4
2.6626 5
2.9116 6
2.6896 4
2.5742 5
2.6435 6
2.6435 6
3.065 5
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 1 0 6.849 13.698 0.077 137.67 4 2.6 1.9
2 2 0 0 9.465 18.929 0.107 71.04 2 3.5 0.9
3 0 2 0 9.948 19.897 0.112 64.09 2 24.1 38.6
4 1 1 -1 10.079 20.158 0.114 62.39 4 8.7 9.8
5 1 1 1 12.156 24.312 0.137 42.23 4 19.9 34.8
6 0 2 1 13.324 26.647 0.15 34.81 4 41.8 126.3
7 2 2 0 13.798 27.597 0.155 32.32 4 68.3 313.1
8 2 2 -1 14.937 29.873 0.167 27.29 4 148.4 1249.5
9 3 1 0 15.15 30.3 0.17 26.48 4 77.6 331.7
10 3 1 -1 15.453 30.906 0.173 25.37 4 92.7 453.0
11 1 3 0 15.775 31.551 0.176 24.27 4 17.9 16.2
12 1 3 -1 17.49 34.979 0.195 19.4 4 86.9 304.7
13 2 0 -2 17.723 35.445 0.198 18.85 2 36.2 25.7
14 0 0 2 17.761 35.522 0.198 18.76 2 163.0 518.4
15 1 1 -2 17.811 35.622 0.199 18.64 4 9.9 3.8
16 2 2 1 17.841 35.681 0.199 18.58 4 116.3 522.3
17 1 3 1 18.817 37.633 0.209 16.52 4 19.8 13.5
18 4 0 0 19.201 38.401 0.213 15.8 2 21.1 7.3
19 3 1 1 19.564 39.129 0.217 15.16 4 83.0 217.0
20 0 4 0 20.213 40.427 0.224 14.1 2 5.7 0.5
21 3 1 -2 20.287 40.573 0.225 13.99 4 8.6 2.1
22 1 1 2 20.355 40.709 0.226 13.88 4 63.2 115.4
23 2 2 -2 20.488 40.976 0.227 13.68 4 24.7 17.4
24 0 2 2 20.522 41.044 0.228 13.63 4 63.7 114.8
25 3 3 0 20.963 41.925 0.232 13.0 4 67.5 123.0
26 3 3 -1 21.193 42.385 0.235 12.68 4 92.1 223.7
27 4 2 -1 21.459 42.919 0.237 12.33 4 64.0 105.1
28 4 2 0 21.808 43.615 0.241 11.9 4 23.2 13.4
29 0 4 1 22.19 44.381 0.245 11.44 4 100.9 242.3
30 4 0 -2 22.493 44.986 0.248 11.09 2 114.3 150.6
31 2 4 0 22.498 44.996 0.248 11.09 4 17.6 7.1
32 2 0 2 22.587 45.173 0.249 10.99 2 87.9 88.2
33 1 3 -2 23.046 46.092 0.254 10.5 4 66.4 96.3
34 2 4 -1 23.262 46.524 0.256 10.28 4 18.4 7.3
35 5 1 -1 24.0 48.001 0.264 9.58 4 13.3 3.5
36 3 3 1 24.489 48.978 0.269 9.15 4 37.6 26.9
37 4 2 -2 24.82 49.64 0.272 8.88 4 18.5 6.3
38 5 1 0 24.839 49.678 0.273 8.86 4 66.8 82.1
39 2 2 2 24.907 49.814 0.273 8.8 4 46.1 38.9
40 3 3 -2 25.097 50.194 0.275 8.65 4 3.2 0.2
41 1 3 2 25.155 50.309 0.276 8.61 4 50.1 45.0
42 2 4 1 25.357 50.713 0.278 8.45 4 16.6 4.8
43 4 2 1 25.746 51.493 0.282 8.16 4 26.1 11.5
44 1 5 0 26.082 52.164 0.285 7.93 4 101.2 168.9
45 5 1 -2 26.633 53.265 0.291 7.56 4 39.4 24.4
46 3 1 2 26.743 53.486 0.292 7.49 4 21.1 7.0
47 1 1 -3 26.781 53.561 0.292 7.46 4 11.0 1.9
48 1 5 -1 27.254 54.507 0.297 7.17 4 34.0 17.2
49 2 4 -2 27.418 54.837 0.299 7.07 4 24.6 8.9
50 0 4 2 27.446 54.891 0.299 7.06 4 63.7 59.5
51 3 1 -3 27.692 55.383 0.302 6.92 4 75.1 81.1
52 4 4 -1 28.205 56.41 0.307 6.63 4 15.2 3.2
53 1 5 1 28.208 56.415 0.307 6.63 4 12.9 2.3
54 2 2 -3 28.324 56.648 0.308 6.57 4 125.6 215.6
55 5 3 -1 28.325 56.651 0.308 6.57 4 114.8 180.2
56 4 4 0 28.491 56.981 0.31 6.49 4 69.2 64.6
57 5 1 1 28.93 57.86 0.314 6.26 4 1.9 0.0
58 5 3 0 29.075 58.15 0.315 6.19 4 44.9 26.0
59 0 2 3 29.281 58.562 0.317 6.1 4 9.3 1.1
60 6 0 0 29.559 59.117 0.32 5.97 2 86.7 46.7
61 1 1 3 29.612 59.224 0.321 5.94 4 5.7 0.4
62 3 5 0 29.826 59.652 0.323 5.85 4 71.4 62.0
63 3 5 -1 30.004 60.009 0.325 5.77 4 12.9 2.0
64 6 0 -2 30.272 60.545 0.327 5.66 2 104.8 64.6
65 6 2 -1 30.351 60.702 0.328 5.63 4 51.9 31.5
66 4 0 2 30.4 60.799 0.328 5.61 2 119.3 82.9
67 5 3 -2 30.699 61.398 0.331 5.48 4 39.2 17.5
68 3 3 2 30.8 61.6 0.332 5.44 4 1.3 0.0
69 1 3 -3 30.834 61.668 0.333 5.43 4 121.6 166.9
70 4 2 -3 30.989 61.978 0.334 5.37 4 26.6 7.9
71 4 4 -2 31.031 62.062 0.335 5.36 4 5.7 0.4
72 2 4 2 31.106 62.212 0.335 5.33 4 45.7 23.2
73 0 6 0 31.217 62.433 0.336 5.29 2 102.3 57.5
74 1 5 -2 31.476 62.952 0.339 5.19 4 12.6 1.7
75 6 2 0 31.513 63.026 0.339 5.18 4 24.0 6.2
76 3 3 -3 31.67 63.34 0.341 5.12 4 26.2 7.3
77 4 4 1 31.835 63.67 0.342 5.06 4 44.3 20.6
78 5 1 -3 32.138 64.275 0.345 4.96 4 22.9 5.4
79 6 2 -2 32.201 64.402 0.346 4.94 4 56.0 32.2
80 4 2 2 32.324 64.648 0.347 4.9 4 41.4 17.5
81 3 5 1 32.659 65.318 0.35 4.79 4 18.3 3.3
82 0 6 1 32.701 65.402 0.351 4.78 4 54.6 29.6
83 5 3 1 32.816 65.631 0.352 4.74 4 152.4 228.8
84 2 6 0 32.938 65.877 0.353 4.7 4 35.4 12.2
85 3 5 -2 33.166 66.333 0.355 4.63 4 112.5 121.9
86 1 5 2 33.215 66.429 0.356 4.62 4 74.7 53.6
87 1 3 3 33.451 66.902 0.358 4.55 4 16.2 2.5
88 2 6 -1 33.535 67.07 0.359 4.53 4 6.6 0.4
89 2 2 3 33.671 67.343 0.36 4.49 4 79.4 58.8
90 7 1 -1 34.078 68.157 0.364 4.38 4 42.2 16.2
91 2 4 -3 34.121 68.241 0.364 4.37 4 40.0 14.5
92 0 4 3 34.985 69.971 0.372 4.15 4 49.1 20.8
93 2 6 1 35.221 70.443 0.374 4.09 4 23.8 4.8
94 7 1 -2 35.412 70.823 0.376 4.05 4 100.2 84.5
95 6 2 1 35.524 71.047 0.377 4.02 4 79.5 52.8
96 5 1 2 35.552 71.105 0.377 4.02 4 40.8 13.9
97 7 1 0 35.59 71.18 0.378 4.01 4 42.5 15.0
98 3 1 3 35.631 71.262 0.378 4.0 4 37.9 12.0
99 5 3 -3 35.83 71.659 0.38 3.96 4 72.8 43.6
100 2 0 -4 35.934 71.868 0.381 3.93 2 9.0 0.3
101 5 5 -1 35.941 71.882 0.381 3.93 4 13.2 1.4
102 6 4 -1 35.962 71.924 0.381 3.93 4 14.4 1.7
103 4 4 -3 36.549 73.098 0.387 3.81 4 37.9 11.4
104 5 5 0 36.603 73.206 0.387 3.8 4 9.1 0.7
105 3 1 -4 36.764 73.528 0.389 3.76 4 78.2 47.9
106 1 1 -4 36.81 73.621 0.389 3.76 4 58.2 26.5
107 6 2 -3 36.819 73.638 0.389 3.75 4 11.6 1.1
108 2 6 -2 36.946 73.892 0.39 3.73 4 76.1 44.9
109 0 6 2 36.969 73.938 0.39 3.73 4 99.9 77.4
110 6 4 0 37.033 74.067 0.391 3.71 4 34.4 9.1
111 4 0 -4 37.504 75.008 0.395 3.63 2 77.7 22.8
112 0 0 4 37.596 75.192 0.396 3.61 2 109.3 44.9
113 1 7 0 37.605 75.211 0.396 3.61 4 2.6 0.1
114 4 6 -1 37.619 75.239 0.396 3.61 4 41.5 12.9
115 6 4 -2 37.673 75.346 0.397 3.6 4 13.0 1.3
116 7 3 -1 37.682 75.363 0.397 3.6 4 49.9 18.7
117 2 2 -4 37.716 75.433 0.397 3.59 4 19.9 3.0
118 4 4 2 37.788 75.575 0.398 3.58 4 41.9 13.1
119 4 6 0 37.866 75.732 0.398 3.57 4 14.4 1.5
120 5 5 -2 38.058 76.116 0.4 3.53 4 12.3 1.1
121 3 5 2 38.149 76.298 0.401 3.52 4 114.5 96.0
122 1 5 -3 38.18 76.36 0.401 3.51 4 2.2 0.0
123 1 7 -1 38.574 77.147 0.405 3.45 4 49.3 17.4
124 3 5 -3 38.941 77.881 0.408 3.4 4 18.9 2.5
125 7 3 -2 38.965 77.93 0.408 3.39 4 34.2 8.3
126 2 4 3 39.052 78.104 0.409 3.38 4 0.1 0.0
127 5 3 2 39.101 78.202 0.409 3.37 4 35.1 8.6
128 7 3 0 39.137 78.275 0.41 3.37 4 5.2 0.2
129 3 3 3 39.177 78.354 0.41 3.36 4 3.0 0.1
130 4 2 -4 39.261 78.522 0.411 3.35 4 36.3 9.2
131 0 2 4 39.352 78.703 0.412 3.34 4 14.8 1.5
132 1 7 1 39.377 78.754 0.412 3.34 4 63.5 27.9
133 7 1 -3 39.47 78.939 0.413 3.32 4 47.1 15.4
134 7 1 1 39.813 79.625 0.416 3.28 4 30.6 6.4
135 5 1 -4 39.904 79.809 0.416 3.27 4 16.2 1.8
136 5 5 1 39.994 79.989 0.417 3.26 4 22.1 3.3
137 1 1 4 40.04 80.079 0.418 3.25 4 3.8 0.1
138 4 6 -2 40.104 80.208 0.418 3.24 4 1.3 0.0
139 8 0 -2 40.163 80.326 0.419 3.23 2 36.7 4.5
140 2 6 2 40.172 80.343 0.419 3.23 4 12.8 1.1
141 3 3 -4 40.276 80.552 0.42 3.22 4 33.2 7.4
142 6 0 2 40.321 80.641 0.42 3.22 2 11.5 0.4
143 1 3 -4 40.321 80.641 0.42 3.22 4 19.7 2.6
144 1 5 3 40.584 81.168 0.422 3.18 4 31.6 6.6
145 3 7 0 40.77 81.541 0.424 3.16 4 15.9 1.7
146 6 4 1 40.811 81.621 0.424 3.16 4 6.2 0.3
147 4 6 1 40.829 81.658 0.424 3.16 4 29.4 5.7
148 3 7 -1 40.926 81.853 0.425 3.15 4 5.2 0.2
149 4 2 3 40.956 81.912 0.425 3.14 4 10.8 0.8
150 8 2 -1 41.028 82.055 0.426 3.14 4 37.9 9.4
151 8 0 0 41.129 82.257 0.427 3.12 2 84.5 23.2
152 8 2 -2 41.89 83.78 0.433 3.05 4 30.1 5.7
153 6 2 2 42.046 84.092 0.435 3.03 4 46.2 13.5
154 6 4 -3 42.055 84.11 0.435 3.03 4 44.9 12.7
155 6 0 -4 42.188 84.377 0.436 3.02 2 116.3 42.5
156 1 7 -2 42.229 84.457 0.436 3.02 4 43.1 11.6
157 2 0 4 42.366 84.733 0.437 3.01 2 20.1 1.3
158 5 5 -3 42.824 85.647 0.441 2.97 4 37.7 8.8
159 8 2 0 42.848 85.697 0.441 2.97 4 22.7 3.2
160 7 3 -3 42.922 85.844 0.442 2.96 4 30.1 5.6
161 2 4 -4 42.923 85.845 0.442 2.96 4 1.1 0.0
162 2 6 -3 42.929 85.857 0.442 2.96 4 20.2 2.5
163 7 3 1 43.26 86.52 0.445 2.93 4 23.1 3.3
164 3 7 1 43.296 86.592 0.445 2.93 4 7.5 0.3
165 5 3 -4 43.35 86.701 0.446 2.93 4 34.4 7.2
166 1 3 4 43.484 86.967 0.447 2.92 4 12.2 0.9
167 0 8 0 43.712 87.424 0.449 2.9 2 6.5 0.1
168 0 6 3 43.738 87.476 0.449 2.9 4 39.0 9.2
169 3 7 -2 43.76 87.519 0.449 2.9 4 11.6 0.8
170 1 7 2 43.804 87.608 0.449 2.9 4 6.0 0.2
171 6 2 -4 43.903 87.805 0.45 2.89 4 6.3 0.2
172 2 2 4 44.08 88.16 0.452 2.88 4 61.2 22.4
173 5 1 3 44.351 88.702 0.454 2.86 4 20.0 2.4
174 4 4 -4 44.429 88.859 0.454 2.86 4 25.7 3.9
175 0 4 4 44.518 89.036 0.455 2.85 4 12.5 0.9
176 7 5 -1 44.601 89.202 0.456 2.85 4 9.9 0.6
177 6 6 -1 44.661 89.323 0.456 2.85 4 29.9 5.3
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 2 0 9.948 19.897 4.4587 38.6 3.1 3.1 5.6
2 1 1 1 12.156 24.312 3.65802 34.8 2.8 2.8 5.6
3 0 2 1 13.324 26.647 3.34246 126.3 10.1 10.1 5.6
4 2 2 0 13.798 27.597 3.2296 313.1 25.1 25.1 5.6
5 2 2 -1 14.937 29.873 2.98848 1249.5 100.0 100.0 5.6
6 3 1 0 15.15 30.3 2.94738 331.7 26.5 26.5 5.6
7 3 1 -1 15.453 30.906 2.89094 453.0 36.3 36.2 5.6
8 1 3 0 15.775 31.551 2.83328 16.2 1.3 1.3 5.6
9 1 3 -1 17.49 34.979 2.56306 304.7 24.4 24.3 5.7
10 2 0 -2 17.723 35.445 2.53041 25.7 2.1 2.1 5.7
11 0 0 2 17.761 35.522 2.52514 518.4 41.5 41.3 5.7
12 2 2 1 17.841 35.681 2.51423 522.3 41.8 41.6 5.7
13 1 3 1 18.817 37.633 2.38817 13.5 1.1 1.1 5.7
14 3 1 1 19.564 39.129 2.30028 217.0 17.4 17.2 5.7
15 1 1 2 20.355 40.709 2.21452 115.4 9.2 9.1 5.7
16 2 2 -2 20.488 40.976 2.2007 17.4 1.4 1.4 5.7
17 0 2 2 20.522 41.044 2.19724 114.8 9.2 9.1 5.7
18 3 3 0 20.963 41.925 2.15306 123.0 9.8 9.7 5.7
19 3 3 -1 21.193 42.385 2.13077 223.7 17.9 17.7 5.7
20 4 2 -1 21.459 42.919 2.10549 105.1 8.4 8.3 5.7
21 4 2 0 21.808 43.615 2.07349 13.4 1.1 1.1 5.7
22 0 4 1 22.19 44.381 2.03948 242.3 19.4 19.1 5.7
23 4 0 -2 22.493 44.986 2.01345 157.8 12.6 12.4 5.7
24 2 0 2 22.587 45.173 2.00551 88.2 7.1 7.0 5.7
25 1 3 -2 23.046 46.092 1.96764 96.3 7.7 7.6 5.7
26 3 3 1 24.489 48.978 1.85825 26.9 2.2 2.1 5.7
27 5 1 0 24.839 49.678 1.83369 88.4 7.1 6.9 5.7
28 2 2 2 24.907 49.814 1.82901 38.9 3.1 3.1 5.7
29 1 3 2 25.155 50.309 1.81216 45.0 3.6 3.5 5.8
30 1 5 0 26.082 52.164 1.75202 168.9 13.5 13.2 5.8
31 5 1 -2 26.633 53.265 1.71834 24.4 1.9 1.9 5.8
32 1 5 -1 27.254 54.507 1.68208 17.2 1.4 1.3 5.8
33 0 4 2 27.446 54.891 1.67123 68.4 5.5 5.3 5.8
34 3 1 -3 27.692 55.383 1.65754 81.1 6.5 6.3 5.8
35 2 2 -3 28.324 56.648 1.62349 395.8 31.7 30.8 5.8
36 4 4 0 28.491 56.981 1.6148 64.6 5.2 5.0 5.8
37 5 3 0 29.075 58.15 1.58509 26.0 2.1 2.0 5.8
38 6 0 0 29.559 59.117 1.56144 46.7 3.7 3.6 5.8
39 3 5 0 29.826 59.652 1.54871 62.0 5.0 4.8 5.8
40 6 0 -2 30.272 60.545 1.52799 64.6 5.2 5.0 5.8
41 6 2 -1 30.351 60.702 1.52441 31.5 2.5 2.4 5.8
42 4 0 2 30.4 60.799 1.52221 82.9 6.6 6.4 5.8
43 5 3 -2 30.699 61.398 1.5088 17.5 1.4 1.4 5.8
44 1 3 -3 30.834 61.668 1.50283 166.9 13.4 12.9 5.8
45 2 4 2 31.106 62.212 1.49099 23.2 1.9 1.8 5.8
46 0 6 0 31.217 62.433 1.48623 57.5 4.6 4.4 5.8
47 4 4 1 31.835 63.67 1.46031 20.6 1.7 1.6 5.9
48 6 2 -2 32.201 64.402 1.44547 32.2 2.6 2.5 5.9
49 4 2 2 32.324 64.648 1.44057 17.5 1.4 1.3 5.9
50 0 6 1 32.701 65.402 1.42578 29.6 2.4 2.3 5.9
51 5 3 1 32.816 65.631 1.42134 228.8 18.3 17.6 5.9
52 3 5 -2 33.166 66.333 1.40801 121.9 9.8 9.3 5.9
53 1 5 2 33.215 66.429 1.40619 53.6 4.3 4.1 5.9
54 2 2 3 33.671 67.343 1.38932 58.8 4.7 4.5 5.9
55 7 1 -1 34.078 68.157 1.3747 16.2 1.3 1.2 5.9
56 2 4 -3 34.121 68.241 1.3732 14.5 1.2 1.1 5.9
57 0 4 3 34.985 69.971 1.34343 20.8 1.7 1.6 5.9
58 7 1 -2 35.412 70.823 1.32934 84.5 6.8 6.4 5.9
59 6 2 1 35.524 71.047 1.32569 66.8 5.3 5.1 5.9
60 7 1 0 35.59 71.18 1.32355 15.0 1.2 1.1 5.9
61 5 3 -3 35.83 71.659 1.31587 43.6 3.5 3.3 5.9
62 3 1 -4 36.764 73.528 1.28697 47.9 3.8 3.6 6.0
63 1 1 -4 36.81 73.621 1.28558 27.5 2.2 2.1 6.0
64 0 6 2 36.969 73.938 1.28085 122.3 9.8 9.2 6.0
65 4 0 -4 37.504 75.008 1.2652 22.8 1.8 1.7 6.0
66 0 0 4 37.596 75.192 1.26257 57.8 4.6 4.4 6.0
67 7 3 -1 37.682 75.363 1.26012 19.9 1.6 1.5 6.0
68 4 4 2 37.788 75.575 1.25711 13.1 1.0 1.0 6.0
69 3 5 2 38.149 76.298 1.24699 96.0 7.7 7.2 6.0
70 1 7 -1 38.574 77.147 1.23538 17.4 1.4 1.3 6.0
71 1 7 1 39.377 78.754 1.21415 29.5 2.4 2.2 6.0
72 7 1 -3 39.47 78.939 1.21176 15.4 1.2 1.1 6.0
73 8 0 0 41.129 82.257 1.17108 23.2 1.9 1.7 6.1
74 6 2 2 42.046 84.092 1.15014 26.2 2.1 1.9 6.1
75 6 0 -4 42.188 84.377 1.14699 42.5 3.4 3.1 6.1
76 2 2 4 44.08 88.16 1.10726 22.4 1.8 1.6 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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