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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HYDROSILICATE_CHLORIDE_LI_BA
1
Li(2)Ba(6)H[Si(2)O(7)][SiO(4)](2)Cl
Hexagonal P 6(-)2c Z = 2
R =0.06
6 .4 .1994
Ref.Str.:
Iliinets A.M., Iliukhin V.V., Belov N.V., Nevskii N.N. (1982)
* Dokl. Akad. Nauk SSSR, 267, 1125-1127
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.704 alpha = 90.0
b = 5.704 beta = 90.0
c = 29.402 gamma = 120.0
Unit cell volume (cub. angs.) = 828.45
Molar volume ( cub.cm/mol.) = 249.5
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 1.43 Ba = 1.00
2 0.0 0.0 0.1482 0.94 Ba = 1.00
3 0.3333 0.6667 0.0858 1.02 Ba = 1.00
4 0.6667 0.3333 0.25 1.14 Ba = 1.00
5 0.0 0.0 0.25 1.0 Cl = 1.00
6 0.6667 0.3333 0.0568 0.8 Si = 1.00
7 0.3333 0.6667 0.1942 0.5 Si = 1.00
8 0.488 0.54 0.1748 0.9 O = 1.00
9 0.357 0.179 0.0736 2.2 O = 1.00
10 0.3333 0.6667 0.25 1.4 O = 1.00
11 0.6667 0.3333 0.002 3.6 O = 1.00
12 0.6667 0.3333 0.136 1.0 Li = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0 0.0 0.1482
3 3 0.3333 0.6667 0.0858
4 4 0.6667 0.3333 0.25
5 5 0.0 0.0 0.25
6 6 0.6667 0.3333 0.0568
7 7 0.3333 0.6667 0.1942
8 8 0.488 0.54 0.1748
9 9 0.357 0.179 0.0736
10 10 0.3333 0.6667 0.25
11 11 0.6667 0.3333 0.002
12 12 0.6667 0.3333 0.136
13 8 0.46 0.948 0.1748
14 8 0.052 0.512 0.1748
15 9 0.821 0.178 0.0736
16 9 0.822 0.643 0.0736
17 1 0.0 0.0 0.5
18 2 0.0 0.0 0.3518
19 3 0.3333 0.6667 0.4142
20 6 0.6667 0.3333 0.4432
21 7 0.3333 0.6667 0.3058
22 8 0.488 0.54 0.3252
23 9 0.357 0.179 0.4264
24 11 0.6667 0.3333 0.498
25 12 0.6667 0.3333 0.364
26 8 0.46 0.948 0.3252
27 8 0.052 0.512 0.3252
28 9 0.821 0.178 0.4264
29 9 0.822 0.643 0.4264
30 2 0.0 0.0 0.6482
31 3 0.6667 0.3333 0.5858
32 4 0.3333 0.6667 0.75
33 5 0.0 0.0 0.75
34 6 0.3333 0.6667 0.5568
35 7 0.6667 0.3333 0.6942
36 8 0.54 0.488 0.6748
37 9 0.179 0.357 0.5736
38 10 0.6667 0.3333 0.75
39 11 0.3333 0.6667 0.502
40 12 0.3333 0.6667 0.636
41 8 0.948 0.46 0.6748
42 8 0.512 0.052 0.6748
43 9 0.178 0.821 0.5736
44 9 0.643 0.822 0.5736
45 2 0.0 0.0 0.8518
46 3 0.6667 0.3333 0.9142
47 6 0.3333 0.6667 0.9432
48 7 0.6667 0.3333 0.8058
49 8 0.54 0.488 0.8252
50 9 0.179 0.357 0.9264
51 11 0.3333 0.6667 0.998
52 12 0.3333 0.6667 0.864
53 8 0.948 0.46 0.8252
54 8 0.512 0.052 0.8252
55 9 0.178 0.821 0.9264
56 9 0.643 0.822 0.9264
X-ray density (g/cm cub.) = 4.91
MU (1/cm) = 1143.211 Mass attenuation coefficient (cm**2/g) = 232.739
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.828 12
2.7916 9
3.2939 11
3.2934 11
3.2939 11
2.7915 9
2.7916 9
2.7916 9
3.2939 11
3.2934 11
3.2939 11
2.7915 9
2.7916 9
2 Ba 3.828 10
2.9931 5
3.0452 8
2.8918 8
2.8144 9
2.8918 8
3.0452 8
2.8918 8
3.0453 8
2.8144 9
2.8144 9
3 Ba 3.828 10
2.9641 8
2.8794 9
2.8743 9
2.9639 8
2.9639 8
2.874 9
2.8797 9
2.88 9
2.8737 9
2.5815 11
4 Ba 3.828 12
3.2934 5
3.2929 5
3.2934 5
2.9188 8
3.2929 10
3.2939 10
3.2929 10
2.9185 8
2.9185 8
2.9188 8
2.9185 8
2.9185 8
5 Cl 4.344 15
3.6811 8
3.5552 8
3.2934 10
3.2929 10
3.2934 10
3.5552 8
3.6811 8
3.5552 8
3.6811 8
3.6811 8
3.5552 8
3.5552 8
3.6811 8
3.5552 8
3.6811 8
6 Si 2.64 4
1.6076 9
1.6112 11
1.6072 9
1.6076 9
7 Si 2.64 4
1.5047 8
1.6406 10
1.5041 8
1.5042 8
8 O 3.804 9
3.5552 5
3.6811 5
3.4804 9
2.6129 10
2.411 8
3.2999 8
3.2999 8
2.411 8
3.4219 9
9 O 3.804 9
3.4804 8
2.6024 11
3.4219 8
2.6495 9
3.0545 9
2.6495 9
3.0545 9
3.6158 11
3.6198 11
10 O 3.804 9
3.2934 5
3.2929 5
3.2934 5
2.6129 8
2.6126 8
2.6126 8
2.6129 8
2.6126 8
2.6126 8
11 O 3.804 12
2.6024 9
2.6021 9
2.6024 9
3.6198 9
3.6158 9
3.295 11
3.296 11
3.295 11
3.6155 9
3.62 9
3.6203 9
3.6153 9
12 Li 2.988 6
2.2209 8
2.3888 9
2.2205 8
2.2205 8
2.3886 9
2.3888 9
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 0 0 2 3.003 6.007 0.034 725.5 2 20.9 92.3
2 0 0 4 6.015 12.03 0.068 179.15 2 49.4 127.5
3 1 0 0 8.971 17.942 0.101 79.32 6 81.4 460.0
4 0 0 6 9.044 18.088 0.102 78.01 2 57.5 75.1
5 1 0 1 9.098 18.195 0.103 77.06 12 37.5 189.4
6 1 0 2 9.468 18.936 0.107 70.98 12 28.4 100.4
7 1 0 3 10.057 20.113 0.113 62.68 12 146.9 2364.9
8 1 0 4 10.829 21.657 0.122 53.76 12 46.6 203.7
9 1 0 5 11.751 23.501 0.132 45.34 12 72.2 413.6
10 0 0 8 12.098 24.196 0.136 42.65 2 44.1 24.2
11 1 0 6 12.792 25.584 0.144 37.93 12 304.7 6157.8
12 1 0 7 13.929 27.858 0.156 31.68 12 0.1 0.0
13 1 0 8 15.143 30.286 0.17 26.5 12 207.0 1985.8
14 0 0 10 15.188 30.375 0.17 26.33 2 91.4 64.0
15 1 1 0 15.669 31.339 0.175 24.62 6 629.7 8536.9
16 1 1 2 15.969 31.938 0.179 23.64 12 13.0 7.0
17 1 0 9 16.42 32.841 0.183 22.26 12 239.4 2230.0
18 1 1 4 16.84 33.68 0.188 21.07 12 5.9 1.3
19 1 0 10 17.751 35.501 0.198 18.78 12 122.3 491.1
20 2 0 0 18.172 36.343 0.202 17.84 6 117.7 216.2
21 1 1 6 18.21 36.419 0.203 17.76 12 49.8 77.0
22 2 0 1 18.238 36.476 0.203 17.7 12 50.5 79.0
23 0 0 12 18.323 36.647 0.204 17.52 2 467.8 1117.2
24 2 0 2 18.436 36.871 0.205 17.29 12 43.0 55.8
25 2 0 3 18.761 37.522 0.209 16.63 12 204.3 1214.2
26 1 0 11 19.127 38.254 0.213 15.94 12 70.3 137.6
27 2 0 4 19.208 38.416 0.214 15.79 12 55.4 84.9
28 2 0 5 19.771 39.542 0.22 14.81 12 2.2 0.1
29 1 1 8 19.991 39.981 0.222 14.45 12 171.6 744.0
30 2 0 6 20.441 40.882 0.227 13.75 12 366.9 3236.2
31 1 0 12 20.544 41.088 0.228 13.6 12 2.7 0.2
32 2 0 7 21.21 42.42 0.235 12.66 12 18.7 7.7
33 0 0 14 21.517 43.034 0.238 12.26 2 175.5 110.1
34 1 0 13 21.998 43.996 0.243 11.66 12 75.5 116.2
35 2 0 8 22.071 44.141 0.244 11.58 12 148.0 443.5
36 1 1 10 22.103 44.206 0.244 11.54 12 73.1 107.7
37 2 0 9 23.015 46.029 0.254 10.53 12 256.5 1211.4
38 1 0 14 23.487 46.975 0.259 10.06 12 213.5 801.8
39 2 0 10 24.035 48.071 0.264 9.55 12 105.2 184.7
40 2 1 0 24.366 48.732 0.268 9.26 12 81.0 106.2
41 2 1 1 24.418 48.836 0.268 9.21 24 3.6 0.4
42 1 1 12 24.485 48.971 0.269 9.15 12 296.8 1409.7
43 2 1 2 24.574 49.149 0.27 9.08 24 26.4 22.1
44 0 0 16 24.782 49.565 0.272 8.91 2 74.2 14.3
45 2 1 3 24.833 49.667 0.273 8.86 24 131.2 533.6
46 1 0 15 25.01 50.02 0.274 8.72 12 163.1 405.5
47 2 0 11 25.127 50.254 0.276 8.63 12 16.2 4.0
48 2 1 4 25.193 50.385 0.276 8.58 24 40.3 48.8
49 2 1 5 25.649 51.298 0.281 8.24 24 22.7 14.9
50 2 1 6 26.199 52.398 0.287 7.85 24 231.9 1475.7
51 2 0 12 26.284 52.569 0.287 7.79 12 33.6 15.3
52 1 0 16 26.566 53.133 0.29 7.6 12 37.5 18.7
53 2 1 7 26.839 53.678 0.293 7.43 24 29.6 22.8
54 1 1 14 27.096 54.193 0.296 7.27 12 155.2 306.2
55 2 0 13 27.503 55.006 0.3 7.03 12 43.4 23.1
56 2 1 8 27.564 55.129 0.3 6.99 24 148.3 537.7
57 3 0 0 27.892 55.783 0.304 6.81 6 478.7 1363.0
58 3 0 1 27.939 55.878 0.304 6.78 12 28.5 9.6
59 3 0 2 28.081 56.163 0.306 6.7 12 9.5 1.0
60 0 0 18 28.136 56.272 0.306 6.67 2 209.3 85.2
61 1 0 17 28.156 56.313 0.306 6.66 12 10.9 1.4
62 3 0 3 28.317 56.635 0.308 6.58 12 7.2 0.6
63 2 1 9 28.371 56.743 0.308 6.55 24 184.0 775.2
64 3 0 4 28.646 57.292 0.311 6.41 12 6.3 0.4
65 2 0 14 28.779 57.559 0.313 6.34 12 117.7 153.6
66 3 0 5 29.064 58.129 0.315 6.2 12 9.7 1.0
67 2 1 10 29.256 58.512 0.317 6.11 24 97.0 201.0
68 3 0 6 29.571 59.142 0.32 5.96 12 46.0 22.1
69 1 0 18 29.781 59.561 0.322 5.87 12 66.1 44.8
70 1 1 16 29.911 59.821 0.324 5.81 12 23.6 5.7
71 2 0 15 30.112 60.223 0.326 5.73 12 181.1 328.4
72 3 0 7 30.163 60.326 0.326 5.7 12 22.8 5.2
73 2 1 11 30.215 60.43 0.327 5.68 24 62.0 76.4
74 3 0 8 30.837 61.675 0.333 5.43 12 127.7 154.7
75 2 1 12 31.244 62.489 0.337 5.28 24 13.4 3.3
76 1 0 19 31.441 62.882 0.339 5.2 12 67.0 40.8
77 2 0 16 31.497 62.995 0.339 5.18 12 28.6 7.4
78 3 0 9 31.592 63.183 0.34 5.15 12 18.5 3.1
79 0 0 20 31.599 63.197 0.34 5.15 2 218.9 71.9
80 2 1 13 32.342 64.684 0.347 4.89 24 34.4 20.3
81 3 0 10 32.423 64.846 0.348 4.87 12 61.9 32.6
82 2 2 0 32.695 65.39 0.351 4.78 6 516.8 1115.7
83 2 2 2 32.868 65.736 0.352 4.73 12 8.6 0.6
84 1 1 18 32.918 65.836 0.353 4.71 12 201.4 334.2
85 2 0 17 32.936 65.872 0.353 4.7 12 31.5 8.1
86 1 0 20 33.139 66.278 0.355 4.64 12 159.6 206.7
87 3 0 11 33.329 66.657 0.357 4.59 12 18.6 2.8
88 2 2 4 33.383 66.767 0.357 4.57 12 33.1 8.8
89 2 1 14 33.506 67.012 0.358 4.54 24 177.5 499.5
90 3 1 0 34.21 68.42 0.365 4.34 12 65.4 32.4
91 2 2 6 34.234 68.468 0.365 4.34 12 43.0 14.0
92 3 1 1 34.252 68.504 0.365 4.33 24 20.8 6.6
93 3 0 12 34.307 68.613 0.366 4.32 12 234.7 415.8
94 3 1 2 34.379 68.758 0.367 4.3 24 9.7 1.4
95 2 0 18 34.428 68.855 0.367 4.29 12 95.1 67.7
96 3 1 3 34.589 69.179 0.368 4.25 24 102.7 156.6
97 2 1 15 34.734 69.468 0.37 4.21 24 155.2 354.6
98 1 0 21 34.878 69.756 0.371 4.17 12 155.2 175.7
99 3 1 4 34.883 69.767 0.371 4.17 24 33.4 16.3
100 0 0 22 35.195 70.39 0.374 4.1 2 64.9 5.0
101 3 1 5 35.26 70.519 0.375 4.08 24 36.3 18.8
102 3 0 13 35.355 70.71 0.376 4.06 12 17.6 2.2
103 2 2 8 35.409 70.817 0.376 4.05 12 50.7 18.2
104 3 1 6 35.717 71.434 0.379 3.98 24 210.1 614.5
105 2 0 19 35.972 71.945 0.381 3.93 12 47.7 15.6
106 2 1 16 36.025 72.051 0.382 3.91 24 27.8 10.6
107 1 1 20 36.12 72.24 0.383 3.89 12 282.9 544.8
108 3 1 7 36.255 72.51 0.384 3.87 24 3.6 0.2
109 3 0 14 36.473 72.946 0.386 3.82 12 130.6 114.1
110 1 0 22 36.661 73.322 0.388 3.78 12 6.4 0.3
111 3 1 8 36.871 73.743 0.389 3.74 24 126.1 208.1
112 2 2 10 36.895 73.789 0.39 3.74 12 61.5 24.7
113 2 1 17 37.38 74.759 0.394 3.65 24 2.0 0.1
114 3 1 9 37.565 75.131 0.396 3.62 24 162.1 332.2
115 2 0 20 37.572 75.143 0.396 3.62 12 121.5 93.3
116 3 0 15 37.658 75.317 0.397 3.6 12 8.4 0.4
117 3 1 10 38.336 76.671 0.403 3.49 24 82.1 82.2
118 1 0 23 38.492 76.984 0.404 3.47 12 15.0 1.4
119 4 0 0 38.589 77.178 0.405 3.45 6 67.6 13.8
120 4 0 1 38.63 77.259 0.405 3.44 12 25.2 3.8
121 2 2 12 38.682 77.363 0.406 3.44 12 265.8 424.5
122 4 0 2 38.75 77.501 0.406 3.43 12 11.7 0.8
123 2 1 18 38.797 77.594 0.407 3.42 24 54.0 34.9
124 3 0 16 38.912 77.824 0.408 3.4 12 15.3 1.4
125 4 0 3 38.952 77.903 0.408 3.4 12 122.6 89.3
126 0 0 24 38.958 77.917 0.408 3.4 2 109.0 11.7
127 3 1 11 39.182 78.363 0.41 3.36 24 46.1 25.0
128 2 0 21 39.228 78.456 0.411 3.36 12 145.3 124.0
129 4 0 4 39.233 78.466 0.411 3.36 12 33.7 6.6
130 1 1 22 39.532 79.063 0.413 3.32 12 61.3 21.8
131 4 0 5 39.594 79.187 0.414 3.31 12 8.9 0.5
132 4 0 6 40.033 80.067 0.418 3.25 12 223.0 282.5
133 3 1 12 40.102 80.204 0.418 3.24 24 12.4 1.8
134 3 0 17 40.233 80.467 0.419 3.23 12 3.8 0.1
135 2 1 19 40.279 80.558 0.42 3.22 24 70.5 55.9
136 1 0 24 40.376 80.753 0.42 3.21 12 105.7 62.7
137 4 0 7 40.552 81.103 0.422 3.19 12 11.4 0.7
138 2 2 14 40.762 81.524 0.424 3.16 12 119.7 79.3
139 2 0 22 40.944 81.889 0.425 3.14 12 35.6 7.0
140 3 1 13 41.097 82.194 0.427 3.13 24 46.8 24.0
141 4 0 8 41.148 82.296 0.427 3.12 12 111.6 68.0
142 3 0 18 41.624 83.248 0.431 3.07 12 175.4 165.4
143 4 0 9 41.821 83.643 0.433 3.05 12 168.1 150.9
144 2 1 20 41.828 83.655 0.433 3.05 24 128.0 175.0
145 3 1 14 42.166 84.332 0.436 3.02 24 136.2 196.1
146 1 0 25 42.319 84.639 0.437 3.01 12 9.7 0.5
147 4 0 10 42.572 85.144 0.439 2.99 12 76.1 30.2
148 2 0 23 42.725 85.45 0.44 2.98 12 11.1 0.6
149 3 2 0 42.82 85.64 0.441 2.97 12 43.5 9.8
150 3 2 1 42.859 85.719 0.442 2.96 24 28.4 8.4
151 0 0 26 42.934 85.868 0.442 2.96 2 47.7 2.0
152 3 2 2 42.978 85.955 0.443 2.96 24 8.6 0.8
153 3 0 19 43.085 86.171 0.443 2.95 12 18.0 1.7
154 2 2 16 43.136 86.272 0.444 2.94 12 33.5 5.8
155 3 2 3 43.175 86.349 0.444 2.94 24 82.2 69.5
156 1 1 24 43.181 86.363 0.444 2.94 12 83.7 36.0
157 3 1 15 43.31 86.62 0.445 2.93 24 120.5 148.8
158 4 0 11 43.4 86.8 0.446 2.92 12 24.6 3.1
159 2 1 21 43.446 86.891 0.446 2.92 24 118.6 143.6
160 3 2 4 43.451 86.901 0.446 2.92 24 25.2 6.5
161 3 2 5 43.805 87.61 0.449 2.9 24 42.9 18.7
162 3 2 6 44.238 88.475 0.453 2.87 24 175.9 310.4
163 4 0 12 44.305 88.611 0.453 2.87 12 17.4 1.5
164 1 0 26 44.329 88.657 0.454 2.86 12 122.3 74.9
165 3 1 16 44.53 89.06 0.455 2.85 24 25.4 6.4
166 2 0 24 44.576 89.152 0.456 2.85 12 88.4 38.9
167 3 0 20 44.62 89.241 0.456 2.85 12 241.8 291.3
168 3 2 7 44.749 89.498 0.457 2.84 24 11.3 1.3
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 0 2 3.003 6.007 14.701 92.3 1.1 1.1 5.5
2 0 0 4 6.015 12.03 7.3505 127.5 1.5 1.5 5.6
3 1 0 0 8.971 17.942 4.93981 460.0 5.4 5.4 5.6
4 1 0 1 9.098 18.195 4.87153 189.4 2.2 2.2 5.6
5 1 0 2 9.468 18.936 4.68253 100.4 1.2 1.2 5.6
6 1 0 3 10.057 20.113 4.41117 2364.9 27.7 27.9 5.6
7 1 0 4 10.829 21.657 4.09998 203.7 2.4 2.4 5.6
8 1 0 5 11.751 23.501 3.78235 413.6 4.8 4.9 5.6
9 1 0 6 12.792 25.584 3.47893 6157.8 72.1 72.5 5.6
10 1 0 8 15.143 30.286 2.94866 1985.8 23.3 23.3 5.6
11 1 1 0 15.669 31.339 2.852 8536.9 100.0 100.0 5.6
12 1 0 9 16.42 32.841 2.7249 2230.0 26.1 26.1 5.6
13 1 0 10 17.751 35.501 2.52653 491.1 5.8 5.7 5.7
14 2 0 0 18.172 36.343 2.4699 216.2 2.5 2.5 5.7
15 2 0 1 18.238 36.476 2.46124 155.9 1.8 1.8 5.7
16 0 0 12 18.323 36.647 2.45017 1117.2 13.1 13.0 5.7
17 2 0 3 18.761 37.522 2.39502 1214.2 14.2 14.1 5.7
18 1 0 11 19.127 38.254 2.35083 137.6 1.6 1.6 5.7
19 1 1 8 19.991 39.981 2.25317 744.0 8.7 8.6 5.7
20 2 0 6 20.441 40.882 2.20559 3236.2 37.9 37.6 5.7
21 0 0 14 21.517 43.034 2.10014 110.1 1.3 1.3 5.7
22 1 0 13 21.998 43.996 2.0564 116.2 1.4 1.3 5.7
23 2 0 8 22.071 44.141 2.04999 443.5 5.2 5.1 5.7
24 1 1 10 22.103 44.206 2.04714 107.7 1.3 1.2 5.7
25 2 0 9 23.015 46.029 1.9702 1211.4 14.2 14.0 5.7
26 1 0 14 23.487 46.975 1.93272 801.8 9.4 9.2 5.7
27 2 0 10 24.035 48.071 1.89117 184.7 2.2 2.1 5.7
28 2 1 0 24.366 48.732 1.86707 106.2 1.2 1.2 5.7
29 1 1 12 24.485 48.971 1.8585 1409.7 16.5 16.2 5.7
30 2 1 3 24.833 49.667 1.83409 533.6 6.3 6.1 5.7
31 1 0 15 25.01 50.02 1.82194 405.5 4.8 4.7 5.7
32 2 1 6 26.199 52.398 1.74472 1475.7 17.3 16.9 5.8
33 1 1 14 27.096 54.193 1.69111 306.2 3.6 3.5 5.8
34 2 1 8 27.564 55.129 1.66459 537.7 6.3 6.1 5.8
35 3 0 0 27.892 55.783 1.6466 1363.0 16.0 15.5 5.8
36 0 0 18 28.136 56.272 1.63344 86.6 1.0 1.0 5.8
37 2 1 9 28.371 56.743 1.62101 775.2 9.1 8.8 5.8
38 2 0 14 28.779 57.559 1.59995 153.6 1.8 1.7 5.8
39 2 1 10 29.256 58.512 1.57614 201.0 2.4 2.3 5.8
40 2 0 15 30.112 60.223 1.53538 328.4 3.8 3.7 5.8
41 3 0 8 30.837 61.675 1.50268 154.7 1.8 1.8 5.8
42 2 2 0 32.695 65.39 1.426 1115.7 13.1 12.5 5.9
43 1 1 18 32.918 65.836 1.41743 342.3 4.0 3.8 5.9
44 1 0 20 33.139 66.278 1.40903 206.7 2.4 2.3 5.9
45 2 1 14 33.506 67.012 1.39538 499.5 5.9 5.6 5.9
46 3 0 12 34.307 68.613 1.36666 415.8 4.9 4.7 5.9
47 3 1 3 34.589 69.179 1.35686 156.6 1.8 1.7 5.9
48 2 1 15 34.734 69.468 1.35192 354.6 4.2 4.0 5.9
49 1 0 21 34.878 69.756 1.34703 192.0 2.2 2.1 5.9
50 3 1 6 35.717 71.434 1.31946 614.5 7.2 6.8 5.9
51 1 1 20 36.12 72.24 1.30672 544.8 6.4 6.1 5.9
52 3 0 14 36.473 72.946 1.29581 114.1 1.3 1.3 6.0
53 3 1 8 36.871 73.743 1.28376 232.8 2.7 2.6 6.0
54 3 1 9 37.565 75.131 1.26345 425.5 5.0 4.7 6.0
55 2 2 12 38.682 77.363 1.23246 424.5 5.0 4.7 6.0
56 4 0 3 38.952 77.903 1.22526 101.0 1.2 1.1 6.0
57 2 0 21 39.228 78.456 1.21801 130.7 1.5 1.4 6.0
58 4 0 6 40.033 80.067 1.19751 282.5 3.3 3.1 6.0
59 3 0 18 41.624 83.248 1.15964 165.4 1.9 1.8 6.1
60 2 1 20 41.828 83.655 1.15503 325.9 3.8 3.5 6.1
61 3 1 14 42.166 84.332 1.14747 196.1 2.3 2.1 6.1
62 3 2 3 43.175 86.349 1.12577 105.5 1.2 1.1 6.1
63 3 1 15 43.31 86.62 1.12294 148.8 1.7 1.6 6.1
64 2 1 21 43.446 86.891 1.12014 150.1 1.8 1.6 6.1
65 3 2 6 44.238 88.475 1.10413 310.4 3.6 3.3 6.2
66 3 0 20 44.62 89.241 1.09663 291.3 3.4 3.1 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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