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
85, t-diopside, Li-Sc, analogue
LiScSi(2)O(6)
Monoclinic C 2/c Z = 4
R =0.024 NR =799
12 .9 .1990
Ref.Str.:
Hawthorne F.C., Grundy H.D. (1977)
* Canad. Mineral., 15, 50-58
Reserv:
In original - pyroxene[3].
See U(jj) in the original
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.8033 alpha = 90.0
b = 8.9581 beta = 110.28
c = 5.3515 gamma = 90.0
Unit cell volume (cub. angs.) = 440.83
Molar volume ( cub.cm/mol.) = 66.38
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.1209 0.0835 0.1582 0.46 O = 1.00
2 0.3709 0.2486 0.3448 0.71 O = 1.00
3 0.3545 0.0057 0.0579 0.83 O = 1.00
4 0.299 0.0868 0.2778 0.4 Si = 1.00
5 0.0 0.895 0.25 0.4 Sc = 1.00
6 0.0 0.2574 0.25 1.54 Li = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.1209 0.0835 0.1582
2 2 0.3709 0.2486 0.3448
3 3 0.3545 0.0057 0.0579
4 4 0.299 0.0868 0.2778
5 5 0.0 0.895 0.25
6 6 0.0 0.2574 0.25
7 1 0.8791 0.9165 0.8418
8 2 0.6291 0.7514 0.6552
9 3 0.6455 0.9943 0.9421
10 4 0.701 0.9132 0.7222
11 5 0.0 0.105 0.75
12 6 0.0 0.7426 0.75
13 1 0.1209 0.9165 0.6582
14 2 0.3709 0.7514 0.8448
15 3 0.3545 0.9943 0.5579
16 4 0.299 0.9132 0.7778
17 1 0.8791 0.0835 0.3418
18 2 0.6291 0.2486 0.1552
19 3 0.6455 0.0057 0.4421
20 4 0.701 0.0868 0.2222
21 1 0.6209 0.4165 0.6582
22 2 0.8709 0.2514 0.8448
23 3 0.8545 0.4943 0.5579
24 4 0.799 0.4132 0.7778
25 5 0.5 0.605 0.75
26 6 0.5 0.2426 0.75
27 1 0.3791 0.5835 0.3418
28 2 0.1291 0.7486 0.1552
29 3 0.1455 0.5057 0.4421
30 4 0.201 0.5868 0.2222
31 5 0.5 0.395 0.25
32 6 0.5 0.7574 0.25
33 1 0.6209 0.5835 0.1582
34 2 0.8709 0.7486 0.3448
35 3 0.8545 0.5057 0.0579
36 4 0.799 0.5868 0.2778
37 1 0.3791 0.4165 0.8418
38 2 0.1291 0.2514 0.6552
39 3 0.1455 0.4943 0.9421
40 4 0.201 0.4132 0.7222
X-ray density (g/cm cub.) = 3.07
MU (1/cm) = 192.583 Mass attenuation coefficient (cm**2/g) = 62.654
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 O 3.264 11
2.7376 2
2.6211 3
2.8181 1
3.0656 1
3.0656 1
2.6575 3
2.8634 1
2.8692 2
3.0013 2
3.0322 2
3.1088 2
2 O 3.264 8
2.7376 1
2.6357 3
2.5774 3
3.0359 2
2.8692 1
3.0013 1
3.0322 1
3.1088 1
3 O 3.264 8
2.6211 1
2.6357 2
3.1238 3
2.6575 1
2.5774 2
2.6777 3
2.6777 3
2.8809 3
4 Si 2.1 4
1.6384 1
1.5974 2
1.6286 3
1.6321 3
5 Sc 2.628 6
2.2138 1
2.1021 1
2.1021 1
2.2138 1
2.0061 2
2.0061 2
6 Li 2.448 4
2.1158 1
2.1158 1
2.0986 2
2.0986 2
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 6.895 13.789 0.078 135.83 4 34.9 340.3
2 2 0 0 9.644 19.289 0.109 68.34 2 11.8 9.9
3 1 1 -1 9.813 19.626 0.111 65.94 4 47.5 306.0
4 0 2 0 9.903 19.805 0.112 64.71 2 82.2 449.6
5 1 1 1 12.503 25.006 0.141 39.8 4 80.4 529.6
6 0 2 1 13.325 26.651 0.15 34.8 4 50.1 179.9
7 2 2 0 13.892 27.783 0.156 31.86 4 32.1 67.5
8 2 2 -1 14.58 29.16 0.163 28.74 4 151.4 1355.2
9 3 1 -1 15.043 30.085 0.168 26.88 4 21.6 25.8
10 3 1 0 15.403 30.806 0.172 25.55 4 124.3 813.0
11 1 3 0 15.737 31.474 0.176 24.4 4 50.8 129.6
12 2 0 -2 17.116 34.231 0.191 20.34 2 54.4 61.9
13 1 3 -1 17.276 34.553 0.193 19.93 4 60.5 150.1
14 1 1 -2 17.535 35.07 0.196 19.29 4 34.9 48.4
15 0 0 2 17.872 35.745 0.199 18.5 2 142.8 388.3
16 2 2 1 18.34 36.68 0.204 17.48 4 87.7 277.1
17 1 3 1 19.002 38.004 0.211 16.17 4 10.3 3.5
18 3 1 -2 19.486 38.971 0.217 15.3 4 7.4 1.7
19 4 0 0 19.576 39.153 0.217 15.14 2 29.1 13.2
20 2 2 -2 19.929 39.859 0.221 14.55 4 29.2 25.5
21 0 4 0 20.118 40.235 0.223 14.25 2 27.4 11.0
22 3 1 1 20.34 40.681 0.226 13.9 4 14.1 5.7
23 0 2 2 20.597 41.195 0.228 13.52 4 3.9 0.4
24 1 1 2 20.827 41.655 0.231 13.19 4 77.1 161.2
25 3 3 -1 20.835 41.671 0.231 13.18 4 86.8 204.2
26 3 3 0 21.108 42.217 0.234 12.8 4 9.6 2.4
27 4 2 -1 21.113 42.226 0.234 12.79 4 57.1 85.8
28 4 0 -2 21.571 43.142 0.239 12.19 2 90.7 103.3
29 4 2 0 22.125 44.249 0.244 11.52 4 4.9 0.6
30 0 4 1 22.125 44.25 0.244 11.51 4 61.0 88.3
31 2 4 0 22.494 44.987 0.248 11.09 4 21.3 10.4
32 1 3 -2 22.781 45.561 0.251 10.78 4 24.1 12.8
33 2 4 -1 22.954 45.908 0.253 10.6 4 88.8 172.1
34 2 0 2 23.413 46.827 0.258 10.13 2 70.7 52.2
35 5 1 -1 23.719 47.438 0.261 9.84 4 65.2 86.0
36 4 2 -2 23.947 47.894 0.263 9.63 4 40.0 31.7
37 3 3 -2 24.382 48.764 0.268 9.24 4 55.9 59.4
38 3 3 1 25.102 50.204 0.275 8.65 4 3.6 0.2
39 5 1 0 25.313 50.626 0.278 8.49 4 36.1 22.8
40 1 3 2 25.517 51.034 0.28 8.33 4 16.1 4.4
41 2 2 2 25.657 51.314 0.281 8.23 4 39.8 26.8
42 2 4 1 25.676 51.352 0.281 8.22 4 50.7 43.5
43 5 1 -2 25.688 51.376 0.281 8.21 4 11.7 2.3
44 1 5 0 25.978 51.955 0.284 8.0 4 74.7 91.8
45 1 1 -3 26.536 53.073 0.29 7.62 4 2.6 0.1
46 4 2 1 26.639 53.278 0.291 7.55 4 61.8 59.3
47 3 1 -3 26.727 53.455 0.292 7.5 4 8.2 1.0
48 2 4 -2 26.915 53.831 0.294 7.38 4 8.6 1.1
49 1 5 -1 27.028 54.055 0.295 7.31 4 2.6 0.1
50 0 4 2 27.449 54.899 0.299 7.06 4 91.1 120.7
51 2 2 -3 27.702 55.403 0.302 6.91 4 134.0 255.4
52 3 1 2 27.847 55.694 0.303 6.83 4 90.3 114.7
53 4 4 -1 27.866 55.733 0.303 6.82 4 23.0 7.4
54 5 3 -1 28.038 56.077 0.305 6.72 4 122.4 207.4
55 1 5 1 28.27 56.539 0.307 6.6 4 11.2 1.7
56 4 4 0 28.697 57.394 0.312 6.38 4 89.0 104.0
57 6 0 -2 29.325 58.65 0.318 6.08 2 72.6 32.9
58 0 2 3 29.434 58.868 0.319 6.03 4 3.4 0.1
59 5 3 0 29.465 58.931 0.319 6.01 4 10.3 1.3
60 3 5 -1 29.655 59.311 0.321 5.92 4 44.0 23.6
61 4 2 -3 29.79 59.581 0.322 5.86 4 0.4 0.0
62 5 3 -2 29.804 59.608 0.323 5.86 4 1.8 0.0
63 3 5 0 29.867 59.734 0.323 5.83 4 50.4 30.5
64 5 1 1 30.06 60.121 0.325 5.75 4 44.5 23.4
65 6 2 -1 30.149 60.299 0.326 5.71 4 30.1 10.6
66 6 0 0 30.172 60.344 0.326 5.7 2 88.0 45.4
67 1 1 3 30.202 60.404 0.327 5.69 4 55.1 35.6
68 4 4 -2 30.229 60.458 0.327 5.68 4 50.3 29.6
69 1 3 -3 30.576 61.151 0.33 5.53 4 77.7 68.8
70 5 1 -3 30.728 61.455 0.332 5.47 4 66.1 49.2
71 3 3 -3 30.75 61.5 0.332 5.46 4 56.1 35.4
72 0 6 0 31.059 62.118 0.335 5.34 2 126.6 88.1
73 1 5 -2 31.192 62.384 0.336 5.29 4 41.6 18.9
74 6 2 -2 31.27 62.541 0.337 5.27 4 37.0 14.9
75 2 4 2 31.705 63.41 0.341 5.11 4 15.2 2.4
76 3 3 2 31.778 63.557 0.342 5.08 4 32.1 10.8
77 4 0 2 31.804 63.607 0.342 5.07 2 53.9 15.2
78 6 2 0 32.087 64.174 0.345 4.98 4 26.2 7.0
79 3 5 -2 32.502 65.004 0.349 4.84 4 75.6 56.9
80 0 6 1 32.565 65.13 0.349 4.82 4 26.2 6.8
81 4 4 1 32.567 65.135 0.349 4.82 4 29.0 8.3
82 2 6 0 32.85 65.7 0.352 4.73 4 8.0 0.6
83 3 5 1 33.103 66.206 0.355 4.65 4 41.0 16.1
84 2 6 -1 33.209 66.418 0.356 4.62 4 41.2 16.2
85 1 5 2 33.452 66.905 0.358 4.55 4 8.4 0.7
86 2 4 -3 33.512 67.024 0.358 4.53 4 91.2 77.6
87 4 2 2 33.667 67.333 0.36 4.49 4 37.7 13.2
88 5 3 1 33.837 67.674 0.361 4.44 4 154.5 218.2
89 1 3 3 33.97 67.94 0.363 4.41 4 58.8 31.4
90 7 1 -1 33.981 67.962 0.363 4.4 4 6.9 0.4
91 5 3 -3 34.464 68.928 0.367 4.28 4 54.5 26.1
92 7 1 -2 34.49 68.98 0.368 4.27 4 119.7 126.0
93 2 2 3 34.636 69.271 0.369 4.23 4 40.4 14.2
94 0 4 3 35.075 70.15 0.373 4.13 4 15.8 2.1
95 2 0 -4 35.276 70.553 0.375 4.08 2 69.7 20.4
96 6 2 -3 35.287 70.575 0.375 4.08 4 32.3 8.8
97 4 4 -3 35.4 70.8 0.376 4.05 4 21.2 3.7
98 2 6 1 35.403 70.805 0.376 4.05 4 30.2 7.6
99 5 5 -1 35.624 71.247 0.378 4.0 4 10.8 1.0
100 3 1 -4 35.691 71.381 0.379 3.99 4 52.4 22.5
101 6 4 -1 35.728 71.456 0.379 3.98 4 7.7 0.5
102 4 0 -4 36.058 72.115 0.382 3.91 2 136.6 75.1
103 7 1 0 36.344 72.688 0.385 3.85 4 62.3 30.8
104 2 6 -2 36.438 72.877 0.386 3.83 4 84.1 55.7
105 1 1 -4 36.602 73.204 0.387 3.8 4 46.5 16.9
106 6 4 -2 36.76 73.521 0.388 3.77 4 39.1 11.8
107 6 2 1 36.821 73.643 0.389 3.75 4 30.0 7.0
108 5 5 0 36.886 73.771 0.39 3.74 4 30.9 7.4
109 0 6 2 36.892 73.783 0.39 3.74 4 118.9 108.9
110 3 1 3 37.029 74.057 0.391 3.71 4 0.2 0.0
111 2 2 -4 37.055 74.11 0.391 3.71 4 36.4 10.1
112 5 5 -2 37.188 74.377 0.392 3.68 4 14.1 1.5
113 5 1 2 37.234 74.467 0.393 3.68 4 48.7 17.9
114 4 6 -1 37.248 74.496 0.393 3.67 4 20.3 3.1
115 1 7 0 37.424 74.848 0.394 3.64 4 15.6 1.8
116 6 4 0 37.519 75.037 0.395 3.63 4 19.7 2.9
117 7 3 -1 37.556 75.112 0.396 3.62 4 53.3 21.2
118 7 1 -3 37.821 75.643 0.398 3.57 4 9.3 0.6
119 4 2 -4 37.822 75.644 0.398 3.57 4 26.0 5.0
120 0 0 4 37.865 75.729 0.398 3.57 2 58.1 12.4
121 1 5 -3 37.882 75.765 0.399 3.56 4 28.2 5.8
122 4 6 0 37.965 75.93 0.399 3.55 4 23.4 4.0
123 3 5 -3 38.04 76.081 0.4 3.54 4 19.5 2.8
124 7 3 -2 38.045 76.091 0.4 3.54 4 4.2 0.1
125 5 1 -4 38.136 76.273 0.401 3.52 4 6.0 0.3
126 1 7 -1 38.289 76.579 0.402 3.5 4 36.1 9.4
127 3 5 2 38.977 77.953 0.408 3.39 4 105.2 77.3
128 4 4 2 39.0 77.999 0.408 3.39 4 16.3 1.9
129 3 3 -4 39.203 78.407 0.41 3.36 4 5.5 0.2
130 8 0 -2 39.272 78.544 0.411 3.35 2 34.5 4.1
131 4 6 -2 39.31 78.62 0.411 3.35 4 41.8 12.0
132 1 7 1 39.335 78.67 0.411 3.34 4 63.2 27.5
133 0 2 4 39.601 79.202 0.414 3.31 4 35.4 8.5
134 7 3 0 39.836 79.673 0.416 3.28 4 37.3 9.4
135 2 4 3 39.917 79.834 0.417 3.27 4 17.0 1.9
136 1 3 -4 40.087 80.173 0.418 3.24 4 2.1 0.0
137 6 0 -4 40.135 80.27 0.418 3.24 2 65.2 14.2
138 3 3 3 40.502 81.003 0.422 3.19 4 47.3 14.7
139 3 7 -1 40.528 81.055 0.422 3.19 4 1.3 0.0
140 6 4 -3 40.538 81.076 0.422 3.19 4 11.6 0.9
141 2 6 2 40.633 81.265 0.423 3.18 4 46.0 13.8
142 5 3 2 40.701 81.403 0.423 3.17 4 26.7 4.6
143 3 7 0 40.712 81.425 0.423 3.17 4 7.4 0.4
144 1 1 4 40.791 81.582 0.424 3.16 4 25.7 4.3
145 5 5 1 40.881 81.763 0.425 3.15 4 6.4 0.3
146 8 2 -2 40.992 81.983 0.426 3.14 4 0.8 0.0
147 1 5 3 41.006 82.012 0.426 3.14 4 11.3 0.8
148 8 2 -1 41.029 82.058 0.426 3.13 4 49.5 15.8
149 7 3 -3 41.275 82.55 0.428 3.11 4 39.8 10.1
150 7 1 1 41.389 82.777 0.429 3.1 4 6.3 0.3
151 4 6 1 41.417 82.835 0.429 3.09 4 24.9 4.0
152 5 5 -3 41.469 82.938 0.43 3.09 4 21.4 2.9
153 5 3 -4 41.583 83.166 0.431 3.08 4 29.8 5.6
154 6 2 -4 41.847 83.693 0.433 3.05 4 8.2 0.4
155 1 7 -2 41.881 83.763 0.433 3.05 4 0.0 0.0
156 6 4 1 42.01 84.021 0.434 3.04 4 7.3 0.3
157 8 0 0 42.077 84.154 0.435 3.03 2 48.2 7.3
158 2 4 -4 42.236 84.472 0.436 3.02 4 21.9 3.0
159 2 6 -3 42.286 84.572 0.437 3.01 4 30.9 5.9
160 6 0 2 42.344 84.689 0.437 3.01 2 34.1 3.6
161 4 2 3 42.745 85.491 0.441 2.97 4 39.0 9.3
162 4 4 -4 42.979 85.957 0.443 2.96 4 38.0 8.8
163 3 7 -2 43.06 86.12 0.443 2.95 4 26.0 4.1
164 0 8 0 43.464 86.928 0.447 2.92 2 31.3 3.0
165 3 7 1 43.609 87.217 0.448 2.91 4 3.4 0.1
166 2 0 4 43.63 87.26 0.448 2.91 2 70.8 15.0
167 8 2 -3 43.666 87.331 0.448 2.91 4 52.2 16.3
168 0 6 3 43.745 87.489 0.449 2.9 4 15.9 1.5
169 7 1 -4 43.766 87.532 0.449 2.9 4 76.0 34.5
170 8 2 0 43.776 87.553 0.449 2.9 4 12.3 0.9
171 1 7 2 43.929 87.859 0.45 2.89 4 25.0 3.7
172 6 2 2 44.043 88.085 0.451 2.88 4 25.2 3.8
173 4 6 -3 44.051 88.102 0.451 2.88 4 24.3 3.5
174 1 3 4 44.195 88.39 0.452 2.87 4 26.2 4.1
175 6 6 -1 44.362 88.724 0.454 2.86 4 23.4 3.2
176 7 5 -1 44.418 88.836 0.454 2.86 4 16.8 1.7
177 0 4 4 44.716 89.433 0.457 2.84 4 54.9 17.6
178 7 3 1 44.787 89.574 0.457 2.84 4 7.7 0.3
179 0 8 1 44.814 89.627 0.457 2.84 4 29.2 5.0
180 7 5 -2 44.891 89.783 0.458 2.83 4 86.3 43.4
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 6.895 13.789 6.41665 340.3 25.1 25.4 5.6
2 1 1 -1 9.813 19.626 4.5196 306.0 22.6 22.7 5.6
3 0 2 0 9.903 19.805 4.47905 449.6 33.2 33.4 5.6
4 1 1 1 12.503 25.006 3.55804 529.6 39.1 39.2 5.6
5 0 2 1 13.325 26.651 3.34204 179.9 13.3 13.3 5.6
6 2 2 0 13.892 27.783 3.20833 67.5 5.0 5.0 5.6
7 2 2 -1 14.58 29.16 3.05995 1355.2 100.0 100.0 5.6
8 3 1 -1 15.043 30.085 2.96789 25.8 1.9 1.9 5.6
9 3 1 0 15.403 30.806 2.90012 813.0 60.0 59.9 5.6
10 1 3 0 15.737 31.474 2.84005 129.6 9.6 9.5 5.6
11 2 0 -2 17.116 34.231 2.61734 61.9 4.6 4.5 5.7
12 1 3 -1 17.276 34.553 2.59371 150.1 11.1 11.0 5.7
13 1 1 -2 17.535 35.07 2.55659 48.4 3.6 3.6 5.7
14 0 0 2 17.872 35.745 2.50988 388.3 28.6 28.5 5.7
15 2 2 1 18.34 36.68 2.44799 277.1 20.4 20.3 5.7
16 2 2 -2 19.929 39.859 2.2598 25.5 1.9 1.9 5.7
17 3 3 -1 20.835 41.671 2.16564 365.4 27.0 26.7 5.7
18 4 2 -1 21.113 42.226 2.13844 88.3 6.5 6.4 5.7
19 4 0 -2 21.571 43.142 2.09511 103.3 7.6 7.5 5.7
20 0 4 1 22.125 44.25 2.04521 88.3 6.5 6.4 5.7
21 2 4 -1 22.954 45.908 1.97512 172.1 12.7 12.5 5.7
22 2 0 2 23.413 46.827 1.93849 52.2 3.8 3.8 5.7
23 5 1 -1 23.719 47.438 1.91492 86.0 6.3 6.2 5.7
24 4 2 -2 23.947 47.894 1.89776 31.7 2.3 2.3 5.7
25 3 3 -2 24.382 48.764 1.86591 59.4 4.4 4.3 5.7
26 5 1 0 25.313 50.626 1.80154 22.8 1.7 1.6 5.8
27 2 4 1 25.676 51.352 1.77777 72.7 5.4 5.2 5.8
28 1 5 0 25.978 51.955 1.75855 91.8 6.8 6.6 5.8
29 4 2 1 26.639 53.278 1.71797 59.3 4.4 4.3 5.8
30 0 4 2 27.449 54.899 1.67102 120.7 8.9 8.7 5.8
31 2 2 -3 27.702 55.403 1.657 255.4 18.8 18.3 5.8
32 3 1 2 27.847 55.694 1.64902 122.1 9.0 8.8 5.8
33 5 3 -1 28.038 56.077 1.63868 207.4 15.3 14.9 5.8
34 4 4 0 28.697 57.394 1.60416 104.0 7.7 7.4 5.8
35 6 0 -2 29.325 58.65 1.57277 32.9 2.4 2.4 5.8
36 3 5 -1 29.655 59.311 1.5568 23.6 1.7 1.7 5.8
37 3 5 0 29.867 59.734 1.54678 30.5 2.3 2.2 5.8
38 5 1 1 30.06 60.121 1.53776 23.4 1.7 1.7 5.8
39 6 0 0 30.172 60.344 1.5326 56.0 4.1 4.0 5.8
40 1 1 3 30.202 60.404 1.53121 65.2 4.8 4.6 5.8
41 1 3 -3 30.576 61.151 1.51429 68.8 5.1 4.9 5.8
42 5 1 -3 30.728 61.455 1.50753 84.6 6.2 6.0 5.8
43 0 6 0 31.059 62.118 1.49302 88.1 6.5 6.3 5.8
44 1 5 -2 31.192 62.384 1.4873 18.9 1.4 1.3 5.8
45 6 2 -2 31.27 62.541 1.48394 14.9 1.1 1.1 5.8
46 4 0 2 31.804 63.607 1.4616 25.9 1.9 1.8 5.9
47 3 5 -2 32.502 65.004 1.43354 56.9 4.2 4.0 5.9
48 4 4 1 32.567 65.135 1.43097 15.1 1.1 1.1 5.9
49 3 5 1 33.103 66.206 1.4104 16.1 1.2 1.1 5.9
50 2 6 -1 33.209 66.418 1.40641 16.2 1.2 1.1 5.9
51 2 4 -3 33.512 67.024 1.39516 77.6 5.7 5.5 5.9
52 5 3 1 33.837 67.674 1.38332 218.2 16.1 15.4 5.9
53 1 3 3 33.97 67.94 1.37855 31.8 2.4 2.2 5.9
54 7 1 -2 34.49 68.98 1.36028 152.1 11.2 10.7 5.9
55 2 2 3 34.636 69.271 1.35528 14.2 1.1 1.0 5.9
56 2 0 -4 35.276 70.553 1.33377 29.2 2.2 2.0 5.9
57 3 1 -4 35.691 71.381 1.32031 22.5 1.7 1.6 5.9
58 4 0 -4 36.058 72.115 1.30867 75.1 5.5 5.2 5.9
59 7 1 0 36.344 72.688 1.29976 30.8 2.3 2.1 6.0
60 2 6 -2 36.438 72.877 1.29686 55.7 4.1 3.9 6.0
61 1 1 -4 36.602 73.204 1.29187 16.9 1.2 1.2 6.0
62 0 6 2 36.892 73.783 1.28315 116.2 8.6 8.1 6.0
63 5 1 2 37.234 74.467 1.27305 21.0 1.6 1.5 6.0
64 7 3 -1 37.556 75.112 1.26371 21.2 1.6 1.5 6.0
65 0 0 4 37.865 75.729 1.25494 18.2 1.3 1.3 6.0
66 3 5 2 38.977 77.953 1.2246 79.2 5.8 5.5 6.0
67 1 7 1 39.335 78.67 1.21524 39.5 2.9 2.7 6.0
68 6 0 -4 40.135 80.27 1.19499 14.2 1.0 1.0 6.0
69 3 3 3 40.502 81.003 1.18601 14.7 1.1 1.0 6.1
70 2 6 2 40.633 81.265 1.18285 13.8 1.0 0.9 6.1
71 8 2 -1 41.029 82.058 1.17342 15.8 1.2 1.1 6.1
72 2 0 4 43.63 87.26 1.11635 15.0 1.1 1.0 6.2
73 8 2 -3 43.666 87.331 1.11563 16.3 1.2 1.1 6.2
74 7 1 -4 43.766 87.532 1.11358 36.0 2.7 2.4 6.2
75 0 4 4 44.716 89.433 1.09477 17.6 1.3 1.2 6.2
76 7 5 -2 44.891 89.783 1.09141 43.4 3.2 2.9 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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