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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SPODUMENE
11, t-diopside, at 298'K
LiAl[Si(2)O(6)]
Monoclinic C 2/c Z = 4
R =0.026 NR =1864
26 .5 .1904
Ref.Str.:
M. Tribaudino, F. Nestalo, M. Prencipe, H. Rundlof (2003)
* Canad. Mineral., 41, 521-527
Reserv:
See U(ij) in the original. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.479 alpha = 90.0
b = 8.403 beta = 110.14
c = 5.223 gamma = 90.0
Unit cell volume (cub. angs.) = 390.58
Molar volume ( cub.cm/mol.) = 58.82
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.2741 0.25 0.0 Li = 1.00
2 0.0 0.9066 0.25 0.0 Al = 1.00
3 0.2941 0.0935 0.2561 0.0 Si = 1.00
4 0.1097 0.0823 0.1406 0.0 O = 1.00
5 0.3648 0.267 0.3005 0.0 O = 1.00
6 0.3566 0.9867 0.0585 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.2741 0.25
2 2 0.0 0.9066 0.25
3 3 0.2941 0.0935 0.2561
4 4 0.1097 0.0823 0.1406
5 5 0.3648 0.267 0.3005
6 6 0.3566 0.9867 0.0585
7 1 0.0 0.7259 0.75
8 2 0.0 0.0934 0.75
9 3 0.7059 0.9065 0.7439
10 4 0.8903 0.9177 0.8594
11 5 0.6352 0.733 0.6995
12 6 0.6434 0.0133 0.9415
13 3 0.2941 0.9065 0.7561
14 4 0.1097 0.9177 0.6406
15 5 0.3648 0.733 0.8005
16 6 0.3566 0.0133 0.5585
17 3 0.7059 0.0935 0.2439
18 4 0.8903 0.0823 0.3594
19 5 0.6352 0.267 0.1995
20 6 0.6434 0.9867 0.4415
21 1 0.5 0.2259 0.75
22 2 0.5 0.5934 0.75
23 3 0.7941 0.4065 0.7561
24 4 0.6097 0.4177 0.6406
25 5 0.8648 0.233 0.8005
26 6 0.8566 0.5133 0.5585
27 1 0.5 0.7741 0.25
28 2 0.5 0.4066 0.25
29 3 0.2059 0.5935 0.2439
30 4 0.3903 0.5823 0.3594
31 5 0.1352 0.767 0.1995
32 6 0.1434 0.4867 0.4415
33 3 0.7941 0.5935 0.2561
34 4 0.6097 0.5823 0.1406
35 5 0.8648 0.767 0.3005
36 6 0.8566 0.4867 0.0585
37 3 0.2059 0.4065 0.7439
38 4 0.3903 0.4177 0.8594
39 5 0.1352 0.233 0.6995
40 6 0.1434 0.5133 0.9415
X-ray density (g/cm cub.) = 3.16
MU (1/cm) = 99.013 Mass attenuation coefficient (cm**2/g) = 31.298
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Li 2.448 6
2.1011 4
2.1011 4
2.2808 5
2.2587 6
2.2587 6
2.2808 5
2 Al 2.316 6
1.9995 4
1.947 4
1.947 4
1.9995 4
1.8225 5
1.8225 5
3 Si 2.1 4
1.6435 4
1.5884 5
1.6255 6
1.6295 6
4 O 3.264 11
2.7497 5
2.6454 6
2.5088 4
2.9554 4
2.9554 4
2.6574 6
2.6964 4
2.7034 5
2.6686 5
3.1139 5
2.7114 5
5 O 3.264 11
2.7497 4
2.662 6
2.5375 6
2.7899 5
2.7034 4
2.6686 4
3.0686 6
3.1139 4
2.7114 4
3.157 5
3.0812 6
6 O 3.264 10
2.6454 4
2.662 5
2.9925 6
2.6574 4
2.5375 5
2.6211 6
2.6211 6
2.7647 6
3.0686 5
3.0812 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 7.243 14.485 0.082 122.87 4 22.1 157.4
2 2 0 0 9.969 19.937 0.112 63.82 2 38.4 123.1
3 1 1 -1 10.175 20.35 0.115 61.18 4 41.0 269.4
4 0 2 0 10.564 21.128 0.119 56.6 2 74.9 415.8
5 1 1 1 12.912 25.824 0.145 37.19 4 52.1 264.3
6 0 2 1 13.971 27.941 0.157 31.48 4 61.1 308.2
7 2 2 0 14.605 29.209 0.164 28.64 4 19.8 29.5
8 2 2 -1 15.289 30.577 0.171 25.96 4 128.5 1124.6
9 3 1 -1 15.611 31.221 0.175 24.82 4 43.1 121.0
10 3 1 0 15.984 31.968 0.179 23.59 4 101.5 637.5
11 1 3 0 16.756 33.513 0.187 21.3 4 37.4 78.0
12 2 0 -2 17.579 35.158 0.196 19.19 2 62.8 99.3
13 1 1 -2 18.037 36.074 0.201 18.14 4 4.2 0.8
14 1 3 -1 18.285 36.569 0.204 17.6 4 25.2 29.2
15 0 0 2 18.311 36.621 0.204 17.55 2 134.5 415.9
16 2 2 1 19.091 38.183 0.212 16.0 4 61.0 156.1
17 1 3 1 20.016 40.032 0.222 14.41 4 6.8 1.8
18 3 1 -2 20.122 40.244 0.223 14.24 4 7.3 2.0
19 4 0 0 20.256 40.512 0.225 14.03 2 40.7 30.4
20 2 2 -2 20.69 41.38 0.229 13.38 4 23.7 19.7
21 3 1 1 21.014 42.028 0.233 12.93 4 45.0 68.7
22 0 2 2 21.331 42.661 0.236 12.5 4 21.5 15.1
23 1 1 2 21.416 42.831 0.237 12.39 4 78.3 199.1
24 0 4 0 21.51 43.021 0.238 12.27 2 16.0 4.1
25 3 3 -1 21.943 43.886 0.243 11.73 4 61.2 115.4
26 4 2 -1 22.031 44.061 0.243 11.63 4 22.3 15.1
27 3 3 0 22.223 44.447 0.246 11.4 4 30.5 27.8
28 4 0 -2 22.274 44.547 0.246 11.34 2 47.3 33.2
29 4 2 0 23.064 46.128 0.254 10.48 4 3.9 0.4
30 0 4 1 23.509 47.019 0.259 10.04 4 66.5 116.5
31 1 3 -2 23.819 47.638 0.262 9.75 4 4.6 0.6
32 2 4 0 23.921 47.842 0.263 9.65 4 8.3 1.7
33 2 0 2 24.053 48.105 0.265 9.53 2 19.9 4.9
34 2 4 -1 24.378 48.755 0.268 9.25 4 96.5 225.5
35 5 1 -1 24.62 49.24 0.27 9.04 4 58.2 80.4
36 4 2 -2 24.9 49.801 0.273 8.81 4 46.0 48.9
37 3 3 -2 25.517 51.035 0.28 8.33 4 34.9 26.5
38 5 1 0 26.255 52.511 0.287 7.81 4 53.2 57.9
39 3 3 1 26.264 52.528 0.287 7.8 4 5.8 0.7
40 2 2 2 26.546 53.091 0.29 7.62 4 29.7 17.6
41 1 3 2 26.604 53.208 0.291 7.58 4 23.6 11.1
42 5 1 -2 26.62 53.24 0.291 7.57 4 8.0 1.3
43 2 4 1 27.121 54.241 0.296 7.25 4 23.9 10.9
44 1 1 -3 27.267 54.533 0.297 7.16 4 28.3 15.0
45 3 1 -3 27.53 55.06 0.3 7.01 4 36.3 24.2
46 4 2 1 27.667 55.334 0.301 6.93 4 12.9 3.0
47 1 5 0 27.803 55.607 0.303 6.85 4 46.7 39.1
48 2 4 -2 28.362 56.724 0.308 6.55 4 43.4 32.4
49 2 2 -3 28.623 57.245 0.311 6.42 4 106.1 189.4
50 3 1 2 28.706 57.412 0.312 6.38 4 77.4 100.2
51 1 5 -1 28.854 57.707 0.313 6.3 4 0.7 0.0
52 0 4 2 28.872 57.744 0.313 6.29 4 66.0 71.9
53 5 3 -1 29.386 58.772 0.319 6.05 4 128.8 262.9
54 4 4 -1 29.437 58.874 0.319 6.02 4 25.9 10.6
55 1 5 1 30.106 60.212 0.326 5.73 4 19.2 5.5
56 4 4 0 30.284 60.569 0.327 5.65 4 76.5 86.8
57 0 2 3 30.375 60.75 0.328 5.62 4 18.1 4.8
58 6 0 -2 30.398 60.797 0.328 5.61 2 55.4 22.5
59 5 3 0 30.847 61.695 0.333 5.43 4 18.5 4.9
60 4 2 -3 30.866 61.732 0.333 5.42 4 2.6 0.1
61 1 1 3 31.052 62.103 0.335 5.35 4 52.1 38.1
62 5 1 1 31.124 62.249 0.336 5.32 4 37.7 19.8
63 5 3 -2 31.177 62.353 0.336 5.3 4 21.5 6.4
64 6 0 0 31.287 62.574 0.337 5.26 2 56.2 21.8
65 6 2 -1 31.423 62.846 0.338 5.21 4 25.6 8.9
66 3 5 -1 31.569 63.139 0.34 5.16 4 18.0 4.4
67 1 3 -3 31.763 63.526 0.342 5.09 4 85.0 96.3
68 5 1 -3 31.777 63.555 0.342 5.08 4 47.1 29.6
69 3 5 0 31.788 63.576 0.342 5.08 4 56.7 42.9
70 4 4 -2 31.827 63.655 0.342 5.07 4 38.8 20.0
71 3 3 -3 32.003 64.006 0.344 5.01 4 30.6 12.3
72 6 2 -2 32.561 65.122 0.349 4.82 4 34.2 14.8
73 4 0 2 32.801 65.603 0.352 4.75 2 65.7 26.9
74 1 5 -2 33.057 66.114 0.354 4.67 4 9.9 1.2
75 3 3 2 33.081 66.163 0.354 4.66 4 19.7 4.8
76 2 4 2 33.246 66.492 0.356 4.61 4 5.7 0.4
77 0 6 0 33.367 66.735 0.357 4.58 2 115.3 79.7
78 6 2 0 33.418 66.835 0.357 4.56 4 8.0 0.8
79 4 4 1 34.231 68.462 0.365 4.34 4 23.0 6.0
80 3 5 -2 34.451 68.902 0.367 4.28 4 89.6 90.1
81 4 2 2 34.883 69.767 0.371 4.17 4 67.1 49.2
82 0 6 1 34.89 69.779 0.371 4.17 4 35.4 13.7
83 3 5 1 35.077 70.155 0.373 4.13 4 16.4 2.9
84 2 4 -3 35.081 70.161 0.373 4.13 4 87.4 82.7
85 2 6 0 35.212 70.424 0.374 4.09 4 10.9 1.3
86 1 3 3 35.261 70.523 0.375 4.08 4 27.8 8.3
87 5 3 1 35.33 70.659 0.375 4.07 4 129.6 179.1
88 7 1 -1 35.343 70.686 0.375 4.06 4 5.6 0.3
89 1 5 2 35.365 70.73 0.376 4.06 4 8.3 0.7
90 2 6 -1 35.573 71.146 0.378 4.01 4 22.3 5.2
91 2 2 3 35.779 71.558 0.38 3.97 4 62.1 40.1
92 7 1 -2 35.857 71.713 0.38 3.95 4 115.8 139.0
93 5 3 -3 35.943 71.887 0.381 3.93 4 56.4 32.8
94 2 0 -4 36.263 72.527 0.384 3.86 2 87.0 38.3
95 0 4 3 36.662 73.324 0.388 3.78 4 28.6 8.1
96 6 2 -3 36.682 73.364 0.388 3.78 4 11.7 1.4
97 3 1 -4 36.767 73.534 0.389 3.76 4 67.7 45.2
98 4 4 -3 37.11 74.221 0.392 3.7 4 3.3 0.1
99 4 0 -4 37.16 74.32 0.392 3.69 2 93.9 42.7
100 6 4 -1 37.622 75.243 0.396 3.61 4 1.8 0.0
101 1 1 -4 37.657 75.315 0.397 3.6 4 12.2 1.4
102 5 5 -1 37.775 75.549 0.398 3.58 4 27.9 7.3
103 7 1 0 37.79 75.581 0.398 3.58 4 49.5 23.0
104 2 6 1 37.813 75.626 0.398 3.58 4 34.5 11.2
105 3 1 3 38.185 76.369 0.401 3.51 4 31.1 8.9
106 2 2 -4 38.262 76.524 0.402 3.5 4 22.5 4.6
107 6 2 1 38.302 76.604 0.402 3.5 4 44.2 17.9
108 5 1 2 38.529 77.059 0.404 3.46 4 58.7 31.3
109 6 4 -2 38.674 77.349 0.406 3.44 4 28.0 7.1
110 2 6 -2 38.864 77.728 0.407 3.41 4 72.8 47.4
111 0 0 4 38.927 77.855 0.408 3.4 2 78.4 27.4
112 5 5 0 39.077 78.154 0.409 3.38 4 44.8 17.8
113 4 2 -4 39.142 78.285 0.41 3.37 4 37.1 12.1
114 7 1 -3 39.287 78.574 0.411 3.35 4 9.9 0.9
115 0 6 2 39.302 78.604 0.411 3.35 4 118.4 123.0
116 7 3 -1 39.34 78.679 0.411 3.34 4 65.0 37.0
117 5 5 -2 39.374 78.748 0.412 3.34 4 36.1 11.4
118 5 1 -4 39.421 78.842 0.412 3.33 4 24.3 5.1
119 6 4 0 39.474 78.947 0.413 3.32 4 9.6 0.8
120 4 6 -1 39.791 79.583 0.415 3.28 4 15.0 1.9
121 7 3 -2 39.835 79.67 0.416 3.28 4 3.7 0.1
122 1 5 -3 39.906 79.811 0.416 3.27 4 19.4 3.2
123 3 5 -3 40.124 80.248 0.418 3.24 4 23.6 4.7
124 1 7 0 40.352 80.704 0.42 3.21 4 40.3 13.7
125 4 6 0 40.534 81.068 0.422 3.19 4 31.0 8.0
126 3 3 -4 40.716 81.431 0.423 3.17 4 7.3 0.4
127 4 4 2 40.855 81.711 0.425 3.15 4 30.7 7.8
128 8 0 -2 40.881 81.762 0.425 3.15 2 30.7 3.9
129 0 2 4 40.884 81.769 0.425 3.15 4 12.6 1.3
130 3 5 2 41.113 82.227 0.427 3.13 4 100.8 83.3
131 1 7 -1 41.239 82.478 0.428 3.11 4 47.3 18.3
132 6 0 -4 41.542 83.084 0.43 3.08 2 87.6 31.0
133 1 3 -4 41.581 83.162 0.431 3.08 4 17.4 2.4
134 2 4 3 41.708 83.416 0.432 3.07 4 30.9 7.7
135 7 3 0 41.711 83.421 0.432 3.07 4 41.4 13.8
136 4 6 -2 41.91 83.819 0.434 3.05 4 24.1 4.7
137 1 1 4 42.024 84.048 0.435 3.04 4 24.2 4.6
138 3 3 3 42.095 84.191 0.435 3.03 4 42.4 14.3
139 1 7 1 42.319 84.637 0.437 3.01 4 31.4 7.8
140 5 3 2 42.432 84.865 0.438 3.0 4 3.5 0.1
141 6 4 -3 42.573 85.146 0.439 2.99 4 12.8 1.3
142 8 2 -2 42.819 85.638 0.441 2.97 4 3.8 0.1
143 8 2 -1 42.869 85.739 0.442 2.96 4 43.1 14.5
144 7 1 1 43.034 86.067 0.443 2.95 4 3.6 0.1
145 1 5 3 43.15 86.299 0.444 2.94 4 24.5 4.6
146 7 3 -3 43.175 86.351 0.444 2.94 4 53.6 22.2
147 2 6 2 43.201 86.402 0.444 2.94 4 24.2 4.5
148 5 5 1 43.214 86.428 0.444 2.94 4 3.4 0.1
149 5 3 -4 43.307 86.614 0.445 2.93 4 17.4 2.3
150 6 2 -4 43.476 86.951 0.447 2.92 4 10.0 0.8
151 3 7 -1 43.61 87.22 0.448 2.91 4 19.0 2.8
152 5 5 -3 43.796 87.593 0.449 2.9 4 8.0 0.5
153 3 7 0 43.806 87.612 0.449 2.9 4 3.4 0.1
154 8 0 0 43.823 87.646 0.449 2.9 2 43.9 7.3
155 6 0 2 43.897 87.794 0.45 2.89 2 15.5 0.9
156 2 4 -4 44.101 88.202 0.452 2.88 4 11.7 1.0
157 4 6 1 44.112 88.223 0.452 2.88 4 8.8 0.6
158 6 4 1 44.14 88.28 0.452 2.88 4 34.5 9.0
159 4 2 3 44.307 88.614 0.453 2.87 4 7.9 0.5
160 2 6 -3 44.907 89.813 0.458 2.83 4 37.2 10.3
161 1 7 -2 44.955 89.909 0.459 2.83 4 2.2 0.0
162 4 4 -4 44.961 89.921 0.459 2.83 4 37.4 10.4
163 2 0 4 44.981 89.962 0.459 2.83 2 31.1 3.6
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 7.243 14.485 6.10977 157.4 14.0 14.2 5.6
2 2 0 0 9.969 19.937 4.4497 123.1 10.9 11.0 5.6
3 1 1 -1 10.175 20.35 4.36037 269.4 24.0 24.1 5.6
4 0 2 0 10.564 21.128 4.2015 415.8 37.0 37.2 5.6
5 1 1 1 12.912 25.824 3.44712 264.3 23.5 23.6 5.6
6 0 2 1 13.971 27.941 3.19054 308.2 27.4 27.5 5.6
7 2 2 0 14.605 29.209 3.05489 29.5 2.6 2.6 5.6
8 2 2 -1 15.289 30.577 2.92126 1124.6 100.0 100.0 5.6
9 3 1 -1 15.611 31.221 2.86244 121.0 10.8 10.8 5.6
10 3 1 0 15.984 31.968 2.79728 637.5 56.7 56.6 5.6
11 1 3 0 16.756 33.513 2.67179 78.0 6.9 6.9 5.7
12 2 0 -2 17.579 35.158 2.55042 99.3 8.8 8.8 5.7
13 0 0 2 18.311 36.621 2.45182 445.1 39.6 39.4 5.7
14 2 2 1 19.091 38.183 2.35505 156.1 13.9 13.8 5.7
15 4 0 0 20.256 40.512 2.22485 30.4 2.7 2.7 5.7
16 2 2 -2 20.69 41.38 2.18018 19.7 1.7 1.7 5.7
17 3 1 1 21.014 42.028 2.14804 68.7 6.1 6.0 5.7
18 0 2 2 21.331 42.661 2.11762 15.1 1.3 1.3 5.7
19 1 1 2 21.416 42.831 2.1096 199.1 17.7 17.5 5.7
20 3 3 -1 21.943 43.886 2.06133 115.4 10.3 10.1 5.7
21 4 2 -1 22.031 44.061 2.05352 15.1 1.3 1.3 5.7
22 3 3 0 22.223 44.447 2.03659 27.8 2.5 2.4 5.7
23 4 0 -2 22.274 44.547 2.03223 33.2 3.0 2.9 5.7
24 0 4 1 23.509 47.019 1.93101 116.5 10.4 10.2 5.7
25 2 4 -1 24.378 48.755 1.86622 225.5 20.1 19.7 5.7
26 5 1 -1 24.62 49.24 1.84897 80.4 7.1 7.0 5.7
27 4 2 -2 24.9 49.801 1.82946 48.9 4.3 4.3 5.7
28 3 3 -2 25.517 51.035 1.78809 26.5 2.4 2.3 5.8
29 5 1 0 26.255 52.511 1.74125 58.6 5.2 5.1 5.8
30 2 2 2 26.546 53.091 1.72356 17.6 1.6 1.5 5.8
31 1 3 2 26.604 53.208 1.72006 12.3 1.1 1.1 5.8
32 1 1 -3 27.267 54.533 1.68136 15.0 1.3 1.3 5.8
33 3 1 -3 27.53 55.06 1.66651 24.2 2.2 2.1 5.8
34 1 5 0 27.803 55.607 1.65141 39.1 3.5 3.4 5.8
35 2 4 -2 28.362 56.724 1.62151 32.4 2.9 2.8 5.8
36 2 2 -3 28.623 57.245 1.60797 189.4 16.8 16.4 5.8
37 3 1 2 28.706 57.412 1.60369 100.2 8.9 8.7 5.8
38 0 4 2 28.872 57.744 1.59527 71.9 6.4 6.2 5.8
39 5 3 -1 29.386 58.772 1.56979 262.9 23.4 22.7 5.8
40 4 4 0 30.284 60.569 1.52744 86.8 7.7 7.5 5.8
41 6 0 -2 30.398 60.797 1.52226 27.4 2.4 2.4 5.8
42 1 1 3 31.052 62.103 1.49334 38.1 3.4 3.3 5.8
43 5 1 1 31.124 62.249 1.4902 19.8 1.8 1.7 5.8
44 6 0 0 31.287 62.574 1.48323 21.8 1.9 1.9 5.8
45 1 3 -3 31.763 63.526 1.46327 168.7 15.0 14.4 5.9
46 4 4 -2 31.827 63.655 1.46063 20.0 1.8 1.7 5.9
47 3 3 -3 32.003 64.006 1.45346 12.3 1.1 1.0 5.9
48 6 2 -2 32.561 65.122 1.43122 14.8 1.3 1.3 5.9
49 4 0 2 32.801 65.603 1.42189 26.9 2.4 2.3 5.9
50 0 6 0 33.367 66.735 1.4005 79.7 7.1 6.8 5.9
51 3 5 -2 34.451 68.902 1.36163 90.1 8.0 7.6 5.9
52 4 2 2 34.883 69.767 1.34686 63.0 5.6 5.3 5.9
53 2 4 -3 35.081 70.161 1.34025 85.6 7.6 7.2 5.9
54 5 3 1 35.33 70.659 1.33202 179.4 16.0 15.2 5.9
55 2 2 3 35.779 71.558 1.31748 40.1 3.6 3.4 5.9
56 7 1 -2 35.857 71.713 1.31501 139.0 12.4 11.7 5.9
57 5 3 -3 35.943 71.887 1.31226 32.8 2.9 2.8 5.9
58 2 0 -4 36.263 72.527 1.30226 38.3 3.4 3.2 5.9
59 3 1 -4 36.767 73.534 1.28688 45.2 4.0 3.8 6.0
60 4 0 -4 37.16 74.32 1.27521 42.7 3.8 3.6 6.0
61 7 1 0 37.79 75.581 1.25704 41.4 3.7 3.5 6.0
62 6 2 1 38.302 76.604 1.24277 17.9 1.6 1.5 6.0
63 5 1 2 38.529 77.059 1.23657 31.3 2.8 2.6 6.0
64 2 6 -2 38.864 77.728 1.22759 47.4 4.2 3.9 6.0
65 0 0 4 38.927 77.855 1.22591 27.4 2.4 2.3 6.0
66 5 5 0 39.077 78.154 1.22195 17.8 1.6 1.5 6.0
67 4 2 -4 39.142 78.285 1.22025 12.1 1.1 1.0 6.0
68 0 6 2 39.302 78.604 1.21609 123.0 10.9 10.2 6.0
69 7 3 -1 39.34 78.679 1.21511 37.0 3.3 3.1 6.0
70 5 5 -2 39.374 78.748 1.21423 11.4 1.0 0.9 6.0
71 1 7 0 40.352 80.704 1.18965 13.7 1.2 1.1 6.1
72 4 4 2 40.855 81.711 1.17752 13.0 1.2 1.1 6.1
73 3 5 2 41.113 82.227 1.17144 83.3 7.4 6.9 6.1
74 1 7 -1 41.239 82.478 1.16851 18.3 1.6 1.5 6.1
75 6 0 -4 41.542 83.084 1.16151 31.0 2.8 2.6 6.1
76 7 3 0 41.711 83.421 1.15767 21.4 1.9 1.8 6.1
77 3 3 3 42.095 84.191 1.14904 14.3 1.3 1.2 6.1
78 8 2 -1 42.869 85.739 1.13222 14.5 1.3 1.2 6.1
79 7 3 -3 43.175 86.351 1.12576 31.4 2.8 2.6 6.1
80 4 4 -4 44.961 89.921 1.09009 14.0 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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