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
111, t-diopside, analogue, at 1073'K
LiGaSi(2)O(6)
Monoclinic C 2/c Z = 8
C2/c
7 .10 .10
Ref.Str.:
Camara F., Nestola F., Angel R.J., Ohashi H. (2010)
* Eur. J. Mineral., 21, 599-614
R: See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.626 alpha = 90.0
b = 8.6433 beta = 110.1
c = 5.2813 gamma = 90.0
Unit cell volume (cub. angs.) = 412.65
Molar volume ( cub.cm/mol.) = 31.07
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.8985 0.25 0.0 Ga = 1.00
2 0.0 0.2705 0.25 0.0 Li = 1.00
3 0.2958 0.0906 0.2567 0.0 Si = 1.00
4 0.1146 0.0829 0.142 0.0 O = 1.00
5 0.3654 0.2587 0.3198 0.0 O = 1.00
6 0.355 0.0003 0.044 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.8985 0.25
2 2 0.0 0.2705 0.25
3 3 0.2958 0.0906 0.2567
4 4 0.1146 0.0829 0.142
5 5 0.3654 0.2587 0.3198
6 6 0.355 0.0003 0.044
7 1 0.0 0.1015 0.75
8 2 0.0 0.7295 0.75
9 3 0.7042 0.9094 0.7433
10 4 0.8854 0.9171 0.858
11 5 0.6346 0.7413 0.6802
12 6 0.645 0.9997 0.956
13 3 0.2958 0.9094 0.7567
14 4 0.1146 0.9171 0.642
15 5 0.3654 0.7413 0.8198
16 6 0.355 0.9997 0.544
17 3 0.7042 0.0906 0.2433
18 4 0.8854 0.0829 0.358
19 5 0.6346 0.2587 0.1802
20 6 0.645 0.0003 0.456
21 1 0.5 0.6015 0.75
22 2 0.5 0.2295 0.75
23 3 0.7958 0.4094 0.7567
24 4 0.6146 0.4171 0.642
25 5 0.8654 0.2413 0.8198
26 6 0.855 0.4997 0.544
27 1 0.5 0.3985 0.25
28 2 0.5 0.7705 0.25
29 3 0.2042 0.5906 0.2433
30 4 0.3854 0.5829 0.358
31 5 0.1346 0.7587 0.1802
32 6 0.145 0.5003 0.456
33 3 0.7958 0.5906 0.2567
34 4 0.6146 0.5829 0.142
35 5 0.8654 0.7587 0.3198
36 6 0.855 0.5003 0.044
37 3 0.2042 0.4094 0.7433
38 4 0.3854 0.4171 0.858
39 5 0.1346 0.2413 0.6802
40 6 0.145 0.4997 0.956
X-ray density (g/cm cub.) = 3.68
MU (1/cm) = 148.794 Mass attenuation coefficient (cm**2/g) = 40.41
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ga 2.376 6
2.1247 4
1.9898 4
1.9898 4
2.1247 4
1.8983 5
1.8983 5
2 Li 2.448 4
2.1457 4
2.1457 4
2.2094 5
2.2094 5
3 Si 2.1 4
1.6396 4
1.5867 5
1.6233 6
1.6279 6
4 O 3.264 11
2.7315 5
2.6374 6
2.6262 4
3.0044 4
3.0044 4
2.6463 6
2.8105 4
2.7783 5
2.8113 5
3.1007 5
2.8605 5
5 O 3.264 10
2.7315 4
2.6495 6
2.5505 6
2.9277 5
2.7783 4
2.8113 4
3.2292 6
3.1007 4
2.8605 4
3.1193 6
6 O 3.264 10
2.6374 4
2.6495 5
2.9833 6
2.6463 4
2.5505 5
2.6407 6
2.6407 6
2.8901 6
3.2292 5
3.1193 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 7.083 14.165 0.08 128.6 4 68.8 1428.8
2 2 0 0 9.812 19.624 0.111 65.95 2 21.6 36.1
3 1 1 -1 10.013 20.025 0.113 63.25 4 79.5 939.1
4 0 2 0 10.267 20.534 0.116 60.04 2 92.0 596.8
5 1 1 1 12.711 25.423 0.143 38.44 4 91.4 754.5
6 0 2 1 13.675 27.349 0.153 32.94 4 10.4 8.3
7 2 2 0 14.276 28.553 0.16 30.06 4 11.6 9.4
8 2 2 -1 14.972 29.944 0.168 27.15 4 182.3 2119.1
9 3 1 -1 15.356 30.711 0.172 25.72 4 6.9 2.9
10 3 1 0 15.707 31.414 0.176 24.5 4 150.1 1296.8
11 1 3 0 16.296 32.593 0.182 22.62 4 60.8 196.5
12 2 0 -2 17.372 34.744 0.194 19.69 2 17.7 7.3
13 1 1 -2 17.804 35.609 0.198 18.66 4 46.8 95.9
14 1 3 -1 17.831 35.662 0.199 18.6 4 94.4 389.6
15 0 0 2 18.096 36.193 0.202 18.01 2 180.0 685.4
16 2 2 1 18.731 37.462 0.208 16.69 4 122.8 591.1
17 1 3 1 19.548 39.096 0.217 15.19 4 35.4 44.7
18 3 1 -2 19.841 39.682 0.22 14.69 4 39.1 52.8
19 4 0 0 19.928 39.856 0.221 14.55 2 9.6 1.6
20 2 2 -2 20.348 40.697 0.226 13.89 4 37.2 45.2
21 3 1 1 20.678 41.356 0.229 13.4 4 7.7 1.9
22 0 4 0 20.884 41.768 0.231 13.11 2 56.4 49.0
23 0 2 2 20.985 41.97 0.232 12.97 4 5.6 1.0
24 1 1 2 21.124 42.247 0.234 12.78 4 117.2 412.6
25 3 3 -1 21.444 42.889 0.237 12.35 4 114.1 377.6
26 4 2 -1 21.614 43.227 0.239 12.14 4 85.1 206.7
27 3 3 0 21.709 43.419 0.24 12.02 4 7.0 1.4
28 4 0 -2 21.964 43.928 0.243 11.71 2 114.6 180.5
29 4 2 0 22.621 45.241 0.25 10.95 4 16.1 6.7
30 0 4 1 22.882 45.764 0.252 10.67 4 43.8 48.1
31 2 4 0 23.273 46.546 0.256 10.27 4 43.3 45.2
32 1 3 -2 23.345 46.691 0.257 10.2 4 19.7 9.3
33 2 0 2 23.727 47.453 0.261 9.83 2 87.6 88.5
34 2 4 -1 23.738 47.476 0.261 9.82 4 112.8 293.5
35 5 1 -1 24.205 48.41 0.266 9.4 4 88.2 171.7
36 4 2 -2 24.477 48.953 0.269 9.16 4 58.4 73.4
37 3 3 -2 25.01 50.02 0.274 8.72 4 62.8 80.7
38 3 3 1 25.712 51.425 0.282 8.19 4 43.9 37.2
39 5 1 0 25.802 51.605 0.283 8.12 4 14.9 4.2
40 1 3 2 26.09 52.18 0.285 7.92 4 5.1 0.5
41 2 2 2 26.109 52.218 0.286 7.91 4 21.4 8.5
42 5 1 -2 26.205 52.409 0.287 7.84 4 29.8 16.4
43 2 4 1 26.452 52.904 0.289 7.68 4 61.8 68.9
44 1 1 -3 26.922 53.843 0.294 7.38 4 45.1 35.3
45 1 5 0 26.979 53.958 0.294 7.34 4 102.8 182.1
46 4 2 1 27.165 54.33 0.296 7.23 4 69.8 82.7
47 3 1 -3 27.17 54.341 0.296 7.22 4 0.4 0.0
48 2 4 -2 27.71 55.42 0.302 6.91 4 10.8 1.9
49 1 5 -1 28.03 56.06 0.305 6.73 4 2.6 0.1
50 2 2 -3 28.202 56.403 0.307 6.64 4 155.9 378.8
51 0 4 2 28.217 56.435 0.307 6.63 4 115.2 206.8
52 3 1 2 28.271 56.542 0.307 6.6 4 110.1 187.9
53 4 4 -1 28.725 57.45 0.312 6.37 4 49.4 36.6
54 5 3 -1 28.77 57.54 0.312 6.34 4 159.8 380.4
55 1 5 1 29.269 58.538 0.317 6.1 4 9.4 1.3
56 4 4 0 29.551 59.102 0.32 5.97 4 119.1 199.0
57 6 0 -2 29.916 59.831 0.324 5.81 2 112.8 86.8
58 0 2 3 29.924 59.848 0.324 5.81 4 29.1 11.6
59 5 3 0 30.198 60.396 0.326 5.69 4 8.0 0.8
60 4 2 -3 30.388 60.776 0.328 5.61 4 38.8 19.8
61 5 3 -2 30.561 61.122 0.33 5.54 4 5.1 0.3
62 5 1 1 30.595 61.191 0.33 5.53 4 65.7 56.0
63 1 1 3 30.629 61.259 0.331 5.51 4 77.0 76.8
64 3 5 -1 30.705 61.411 0.331 5.48 4 35.9 16.6
65 6 0 0 30.748 61.495 0.332 5.47 2 112.0 80.6
66 6 2 -1 30.834 61.667 0.333 5.43 4 62.8 50.4
67 3 5 0 30.911 61.823 0.333 5.4 4 91.9 107.2
68 4 4 -2 31.11 62.221 0.335 5.33 4 69.8 61.0
69 1 3 -3 31.212 62.424 0.336 5.29 4 130.5 211.6
70 5 1 -3 31.314 62.628 0.337 5.25 4 83.2 85.5
71 3 3 -3 31.439 62.878 0.339 5.2 4 69.9 59.7
72 6 2 -2 31.98 63.959 0.344 5.01 4 24.7 7.2
73 1 5 -2 32.209 64.419 0.346 4.94 4 51.7 30.9
74 4 0 2 32.292 64.585 0.347 4.91 2 108.1 67.3
75 0 6 0 32.324 64.649 0.347 4.9 2 150.3 130.0
76 3 3 2 32.449 64.897 0.348 4.86 4 45.6 23.7
77 2 4 2 32.518 65.036 0.349 4.83 4 27.4 8.5
78 6 2 0 32.781 65.563 0.351 4.75 4 24.2 6.6
79 4 4 1 33.445 66.889 0.358 4.55 4 40.4 17.5
80 3 5 -2 33.573 67.147 0.359 4.52 4 130.9 181.8
81 0 6 1 33.836 67.671 0.361 4.44 4 17.6 3.2
82 2 6 0 34.14 68.279 0.364 4.36 4 16.6 2.8
83 3 5 1 34.161 68.322 0.364 4.36 4 36.6 13.7
84 4 2 2 34.277 68.553 0.366 4.33 4 73.6 55.1
85 2 4 -3 34.366 68.732 0.366 4.3 4 108.3 118.5
86 1 5 2 34.48 68.96 0.367 4.27 4 39.5 15.7
87 2 6 -1 34.505 69.009 0.368 4.27 4 60.7 36.9
88 5 3 1 34.609 69.218 0.369 4.24 4 181.2 327.1
89 1 3 3 34.641 69.281 0.369 4.23 4 67.0 44.6
90 7 1 -1 34.706 69.411 0.37 4.22 4 21.8 4.7
91 2 2 3 35.212 70.423 0.374 4.09 4 95.8 88.3
92 7 1 -2 35.236 70.472 0.375 4.09 4 149.9 215.9
93 5 3 -3 35.284 70.568 0.375 4.08 4 90.8 79.0
94 2 0 -4 35.802 71.604 0.38 3.96 2 44.5 9.2
95 0 4 3 35.92 71.839 0.381 3.94 4 0.9 0.0
96 6 2 -3 36.062 72.125 0.382 3.91 4 47.2 20.5
97 3 1 -4 36.276 72.552 0.384 3.86 4 110.9 111.6
98 4 4 -3 36.343 72.685 0.385 3.85 4 7.6 0.5
99 4 0 -4 36.666 73.331 0.388 3.78 2 139.1 86.0
100 2 6 1 36.707 73.414 0.388 3.78 4 51.0 23.0
101 6 4 -1 36.751 73.502 0.388 3.77 4 20.7 3.8
102 5 5 -1 36.793 73.586 0.389 3.76 4 14.1 1.8
103 7 1 0 37.091 74.183 0.391 3.7 4 83.9 61.2
104 1 1 -4 37.153 74.306 0.392 3.69 4 37.3 12.1
105 6 2 1 37.574 75.148 0.396 3.62 4 74.3 46.9
106 3 1 3 37.597 75.194 0.396 3.61 4 4.8 0.2
107 2 2 -4 37.701 75.402 0.397 3.59 4 15.5 2.0
108 2 6 -2 37.765 75.53 0.398 3.58 4 55.0 25.5
109 6 4 -2 37.809 75.617 0.398 3.58 4 65.8 36.4
110 5 1 2 37.873 75.746 0.399 3.57 4 27.0 6.1
111 5 5 0 38.061 76.122 0.4 3.53 4 5.5 0.3
112 0 6 2 38.198 76.397 0.401 3.51 4 153.9 195.3
113 5 5 -2 38.387 76.774 0.403 3.48 4 7.9 0.5
114 0 0 4 38.406 76.812 0.403 3.48 2 115.4 54.5
115 7 3 -1 38.511 77.022 0.404 3.46 4 30.3 7.5
116 4 2 -4 38.548 77.097 0.405 3.46 4 28.9 6.8
117 6 4 0 38.555 77.11 0.405 3.46 4 28.0 6.4
118 7 1 -3 38.634 77.268 0.405 3.44 4 10.1 0.8
119 4 6 -1 38.635 77.271 0.405 3.44 4 37.2 11.2
120 5 1 -4 38.85 77.7 0.407 3.41 4 8.0 0.5
121 1 5 -3 38.975 77.95 0.408 3.39 4 6.0 0.3
122 7 3 -2 39.021 78.042 0.409 3.39 4 12.2 1.2
123 1 7 0 39.022 78.045 0.409 3.39 4 37.6 11.3
124 3 5 -3 39.181 78.361 0.41 3.36 4 29.9 7.1
125 4 6 0 39.354 78.707 0.412 3.34 4 54.1 23.0
126 1 7 -1 39.9 79.799 0.416 3.27 4 75.2 43.4
127 4 4 2 39.96 79.92 0.417 3.26 4 58.3 26.0
128 3 3 -4 40.025 80.051 0.417 3.25 4 5.8 0.3
129 3 5 2 40.103 80.206 0.418 3.24 4 141.5 152.5
130 8 0 -2 40.144 80.287 0.418 3.24 2 55.4 11.7
131 0 2 4 40.263 80.526 0.42 3.22 4 42.3 13.6
132 4 6 -2 40.734 81.467 0.424 3.17 4 49.4 18.1
133 7 3 0 40.817 81.634 0.424 3.16 4 53.3 21.1
134 2 4 3 40.847 81.694 0.425 3.15 4 46.0 15.7
135 1 3 -4 40.877 81.754 0.425 3.15 4 6.1 0.3
136 6 0 -4 40.92 81.84 0.425 3.15 2 127.0 59.6
137 1 7 1 40.955 81.911 0.425 3.14 4 82.2 49.9
138 3 3 3 41.309 82.619 0.428 3.11 4 12.6 1.2
139 1 1 4 41.41 82.82 0.429 3.1 4 0.2 0.0
140 5 3 2 41.579 83.157 0.431 3.08 4 23.1 3.8
141 6 4 -3 41.66 83.32 0.431 3.07 4 7.6 0.4
142 8 2 -2 41.981 83.963 0.434 3.04 4 2.1 0.0
143 8 2 -1 42.004 84.009 0.434 3.04 4 77.4 42.8
144 2 6 2 42.005 84.01 0.434 3.04 4 52.6 19.8
145 5 5 1 42.111 84.222 0.435 3.03 4 4.0 0.1
146 1 5 3 42.141 84.282 0.436 3.03 4 16.2 1.9
147 3 7 -1 42.208 84.416 0.436 3.02 4 17.3 2.1
148 7 1 1 42.217 84.433 0.436 3.02 4 25.1 4.5
149 7 3 -3 42.323 84.646 0.437 3.01 4 17.8 2.2
150 3 7 0 42.39 84.78 0.438 3.0 4 2.8 0.1
151 5 3 -4 42.535 85.069 0.439 2.99 4 33.2 7.7
152 5 5 -3 42.748 85.495 0.441 2.97 4 16.1 1.8
153 6 2 -4 42.752 85.504 0.441 2.97 4 24.0 4.0
154 4 6 1 42.854 85.709 0.441 2.97 4 37.5 9.8
155 8 0 0 42.975 85.95 0.442 2.96 2 79.6 22.0
156 6 0 2 43.108 86.216 0.444 2.95 2 44.1 6.7
157 6 4 1 43.116 86.233 0.444 2.95 4 41.0 11.6
158 2 4 -4 43.239 86.478 0.445 2.94 4 50.1 17.3
159 4 2 3 43.519 87.038 0.447 2.92 4 32.4 7.2
160 1 7 -2 43.551 87.102 0.447 2.91 4 8.6 0.5
161 2 6 -3 43.709 87.418 0.449 2.9 4 56.0 21.4
162 4 4 -4 44.063 88.127 0.451 2.88 4 65.9 29.4
163 2 0 4 44.297 88.594 0.453 2.87 2 68.6 15.8
164 7 1 -4 44.713 89.425 0.457 2.84 4 87.7 51.4
165 8 2 -3 44.728 89.457 0.457 2.84 4 86.7 50.2
166 3 7 -2 44.795 89.59 0.457 2.84 4 33.5 7.5
167 8 2 0 44.797 89.593 0.457 2.84 4 0.2 0.0
168 6 2 2 44.93 89.859 0.458 2.83 4 14.5 1.4
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 1 1 0 7.083 14.165 6.24722 1428.8 67.4 68.2 5.6
2 2 0 0 9.812 19.624 4.51992 36.1 1.7 1.7 5.6
3 1 1 -1 10.013 20.025 4.43038 939.1 44.3 44.6 5.6
4 0 2 0 10.267 20.534 4.32165 596.8 28.2 28.4 5.6
5 1 1 1 12.711 25.423 3.50061 754.5 35.6 35.7 5.6
6 2 2 -1 14.972 29.944 2.9816 2119.1 100.0 100.0 5.6
7 3 1 0 15.707 31.414 2.84533 1296.8 61.2 61.1 5.6
8 1 3 0 16.296 32.593 2.74505 196.5 9.3 9.3 5.6
9 1 3 -1 17.831 35.662 2.51551 485.5 22.9 22.8 5.7
10 0 0 2 18.096 36.193 2.47985 685.4 32.3 32.2 5.7
11 2 2 1 18.731 37.462 2.39869 591.1 27.9 27.7 5.7
12 1 3 1 19.548 39.096 2.30211 44.7 2.1 2.1 5.7
13 3 1 -2 19.841 39.682 2.26945 52.8 2.5 2.5 5.7
14 2 2 -2 20.348 40.697 2.21519 45.2 2.1 2.1 5.7
15 0 4 0 20.884 41.768 2.16083 49.0 2.3 2.3 5.7
16 1 1 2 21.124 42.247 2.1374 412.6 19.5 19.2 5.7
17 3 3 -1 21.444 42.889 2.10691 377.6 17.8 17.6 5.7
18 4 2 -1 21.614 43.227 2.09118 206.7 9.8 9.6 5.7
19 4 0 -2 21.964 43.928 2.05945 180.5 8.5 8.4 5.7
20 0 4 1 22.882 45.764 1.98098 48.1 2.3 2.2 5.7
21 2 4 0 23.273 46.546 1.9495 45.2 2.1 2.1 5.7
22 2 4 -1 23.738 47.476 1.91349 382.0 18.0 17.7 5.7
23 5 1 -1 24.205 48.41 1.87871 171.7 8.1 8.0 5.7
24 4 2 -2 24.477 48.953 1.85914 73.4 3.5 3.4 5.7
25 3 3 -2 25.01 50.02 1.82197 80.7 3.8 3.7 5.7
26 3 3 1 25.712 51.425 1.77543 37.2 1.8 1.7 5.8
27 2 4 1 26.452 52.904 1.72921 68.9 3.3 3.2 5.8
28 1 1 -3 26.922 53.843 1.70125 35.3 1.7 1.6 5.8
29 1 5 0 26.979 53.958 1.69789 182.1 8.6 8.4 5.8
30 4 2 1 27.165 54.33 1.68717 82.7 3.9 3.8 5.8
31 2 2 -3 28.202 56.403 1.62997 585.6 27.6 26.9 5.8
32 3 1 2 28.271 56.542 1.62628 187.9 8.9 8.6 5.8
33 4 4 -1 28.725 57.45 1.60271 36.6 1.7 1.7 5.8
34 5 3 -1 28.77 57.54 1.60044 380.4 18.0 17.4 5.8
35 4 4 0 29.551 59.102 1.5618 199.0 9.4 9.1 5.8
36 6 0 -2 29.916 59.831 1.5445 98.3 4.6 4.5 5.8
37 5 1 1 30.595 61.191 1.5134 56.0 2.6 2.6 5.8
38 1 1 3 30.629 61.259 1.51189 76.8 3.6 3.5 5.8
39 6 0 0 30.748 61.495 1.50664 80.6 3.8 3.7 5.8
40 6 2 -1 30.834 61.667 1.50285 50.4 2.4 2.3 5.8
41 3 5 0 30.911 61.823 1.49944 107.2 5.1 4.9 5.8
42 4 4 -2 31.11 62.221 1.4908 61.0 2.9 2.8 5.8
43 1 3 -3 31.212 62.424 1.48643 211.6 10.0 9.6 5.8
44 5 1 -3 31.314 62.628 1.48208 85.5 4.0 3.9 5.8
45 3 3 -3 31.439 62.878 1.47679 59.7 2.8 2.7 5.9
46 1 5 -2 32.209 64.419 1.44513 30.9 1.5 1.4 5.9
47 4 0 2 32.292 64.585 1.44183 67.3 3.2 3.1 5.9
48 0 6 0 32.324 64.649 1.44055 130.0 6.1 5.9 5.9
49 3 3 2 32.449 64.897 1.43564 23.7 1.1 1.1 5.9
50 3 5 -2 33.573 67.147 1.3929 181.8 8.6 8.2 5.9
51 4 2 2 34.277 68.553 1.36771 55.1 2.6 2.5 5.9
52 2 4 -3 34.366 68.732 1.3646 118.5 5.6 5.3 5.9
53 2 6 -1 34.505 69.009 1.35978 52.6 2.5 2.4 5.9
54 5 3 1 34.609 69.218 1.3562 327.1 15.4 14.7 5.9
55 1 3 3 34.641 69.281 1.35511 44.6 2.1 2.0 5.9
56 7 1 -2 35.236 70.472 1.3351 304.2 14.4 13.6 5.9
57 5 3 -3 35.284 70.568 1.33352 79.0 3.7 3.5 5.9
58 3 1 -4 36.276 72.552 1.30187 111.6 5.3 5.0 6.0
59 4 0 -4 36.666 73.331 1.28994 86.0 4.1 3.8 6.0
60 2 6 1 36.707 73.414 1.2887 23.0 1.1 1.0 6.0
61 7 1 0 37.091 74.183 1.27723 61.2 2.9 2.7 6.0
62 6 2 1 37.574 75.148 1.26319 47.1 2.2 2.1 6.0
63 2 6 -2 37.765 75.53 1.25776 25.5 1.2 1.1 6.0
64 6 4 -2 37.809 75.617 1.25652 36.4 1.7 1.6 6.0
65 0 6 2 38.198 76.397 1.24563 195.3 9.2 8.7 6.0
66 0 0 4 38.406 76.812 1.23993 54.5 2.6 2.4 6.0
67 4 6 0 39.354 78.707 1.21475 23.0 1.1 1.0 6.0
68 1 7 -1 39.9 79.799 1.20085 43.4 2.0 1.9 6.0
69 4 4 2 39.96 79.92 1.19934 26.0 1.2 1.1 6.0
70 3 5 2 40.103 80.206 1.19578 152.5 7.2 6.7 6.0
71 7 3 0 40.817 81.634 1.17844 36.8 1.7 1.6 6.1
72 6 0 -4 40.92 81.84 1.17599 59.6 2.8 2.6 6.1
73 1 7 1 40.955 81.911 1.17516 49.9 2.4 2.2 6.1
74 8 2 -1 42.004 84.009 1.15107 62.6 3.0 2.7 6.1
75 8 0 0 42.975 85.95 1.12998 22.0 1.0 1.0 6.1
76 2 6 -3 43.709 87.418 1.11474 21.4 1.0 0.9 6.2
77 4 4 -4 44.063 88.127 1.1076 29.4 1.4 1.3 6.2
78 7 1 -4 44.713 89.425 1.09485 101.6 4.8 4.4 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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