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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DATOLITE
4, t-datolite, f-datolite
CaBSiO(4)(OH)
Monoclinic P 2(1)/a Z = 4
R =0.0194 NR =2584
16 .7 .8
Ref.Str.:
Ivanov Y.V., Belokoneva E.L. (2007)
* Acta Cryct., B63, 49-55
R
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.646 alpha = 90.0
b = 7.62 beta = 90.14
c = 4.839 gamma = 90.0
Unit cell volume (cub. angs.) = 355.68
Molar volume ( cub.cm/mol.) = 53.56
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3361 0.1061 0.9916 0.0 Ca = 1.00
2 0.3408 0.4106 0.5679 0.0 B = 1.00
3 0.0844 0.2662 0.4689 0.0 Si = 1.00
4 0.0374 0.4011 0.2405 0.0 O = 1.00
5 0.4573 0.3011 0.6702 0.0 O = 1.00
6 0.2105 0.3347 0.6751 0.0 O = 1.00
7 0.146 0.0879 0.315 0.0 O = 1.00
8 0.3368 0.4134 0.2585 0.0 O = 1.00
9 0.584 0.552 0.829 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3361 0.1061 0.9916
2 2 0.3408 0.4106 0.5679
3 3 0.0844 0.2662 0.4689
4 4 0.0374 0.4011 0.2405
5 5 0.4573 0.3011 0.6702
6 6 0.2105 0.3347 0.6751
7 7 0.146 0.0879 0.315
8 8 0.3368 0.4134 0.2585
9 9 0.584 0.552 0.829
10 1 0.6639 0.8939 0.0084
11 2 0.6592 0.5894 0.4321
12 3 0.9156 0.7338 0.5311
13 4 0.9626 0.5989 0.7595
14 5 0.5427 0.6989 0.3298
15 6 0.7895 0.6653 0.3249
16 7 0.854 0.9121 0.685
17 8 0.6632 0.5866 0.7415
18 9 0.416 0.448 0.171
19 1 0.8361 0.3939 0.9916
20 2 0.8408 0.0894 0.5679
21 3 0.5844 0.2338 0.4689
22 4 0.5374 0.0989 0.2405
23 5 0.9573 0.1989 0.6702
24 6 0.7105 0.1653 0.6751
25 7 0.646 0.4121 0.315
26 8 0.8368 0.0866 0.2585
27 9 0.084 0.948 0.829
28 1 0.1639 0.6061 0.0084
29 2 0.1592 0.9106 0.4321
30 3 0.4156 0.7662 0.5311
31 4 0.4626 0.9011 0.7595
32 5 0.0427 0.8011 0.3298
33 6 0.2895 0.8347 0.3249
34 7 0.354 0.5879 0.685
35 8 0.1632 0.9134 0.7415
36 9 0.916 0.052 0.171
X-ray density (g/cm cub.) = 2.99
MU (1/cm) = 170.653 Mass attenuation coefficient (cm**2/g) = 57.14
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca 2.88 8
2.4502 5
2.6152 6
2.4177 7
2.6743 8
2.283 4
2.28 4
2.6613 6
2.5283 8
2 B 1.872 4
1.4836 5
1.4786 6
1.4975 8
1.4706 7
3 Si 2.1 4
1.5754 4
1.656 6
1.6601 7
1.6493 5
4 O 3.264 11
2.7294 6
3.248 6
2.6309 7
2.8907 8
3.0182 4
2.8637 4
3.1527 6
2.7024 5
3.2523 5
3.0816 8
3.0794 5
5 O 3.264 10
2.3948 6
3.1945 8
2.4576 8
2.9648 8
3.2523 4
2.7024 4
2.6526 6
2.6452 7
3.0794 4
2.4024 7
6 O 3.264 10
3.248 4
2.7294 4
2.3948 5
2.6377 7
3.13 8
2.4333 8
3.1527 4
2.6526 5
2.3748 7
3.2585 8
7 O 3.264 9
2.6309 4
2.6377 6
3.1016 8
2.6452 5
2.9942 8
2.4024 5
2.3748 6
2.4601 8
3.0819 8
8 O 3.264 12
2.8907 4
2.4576 5
3.1945 5
2.4333 6
3.13 6
3.1016 7
2.9648 5
3.0816 4
2.9942 7
3.2585 6
2.4601 7
3.0819 7
9 H 1.632 1
0.9132 8
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 7.402 14.803 0.084 117.56 4 12.8 60.6
2 0 0 1 9.159 18.319 0.103 76.0 2 29.4 103.9
3 2 0 0 9.19 18.38 0.104 75.48 2 9.7 11.3
4 0 1 1 10.869 21.738 0.122 53.35 4 3.9 2.6
5 2 1 0 10.895 21.79 0.123 53.08 4 2.3 0.9
6 0 2 0 11.664 23.328 0.131 46.05 2 22.1 35.6
7 1 1 -1 11.808 23.615 0.133 44.88 4 31.8 143.1
8 1 1 1 11.825 23.651 0.133 44.74 4 43.5 268.2
9 1 2 0 12.555 25.11 0.141 39.46 4 4.6 2.6
10 2 0 -1 13.016 26.031 0.146 36.57 2 15.6 14.1
11 2 0 1 13.048 26.096 0.147 36.38 2 67.4 261.6
12 2 1 -1 14.292 28.584 0.16 29.99 4 78.3 581.4
13 2 1 1 14.322 28.643 0.161 29.86 4 59.3 331.9
14 0 2 1 14.911 29.822 0.167 27.39 4 62.1 333.7
15 2 2 0 14.93 29.861 0.167 27.32 4 36.0 112.1
16 3 1 0 15.071 30.142 0.169 26.77 4 3.5 1.1
17 1 2 -1 15.623 31.246 0.175 24.78 4 76.1 454.0
18 1 2 1 15.637 31.274 0.175 24.73 4 60.5 286.6
19 2 2 -1 17.617 35.233 0.196 19.1 4 13.3 10.7
20 2 2 1 17.641 35.283 0.197 19.04 4 25.4 39.0
21 3 1 -1 17.732 35.465 0.198 18.83 4 44.0 115.4
22 3 1 1 17.769 35.538 0.198 18.74 4 67.6 271.0
23 3 2 0 18.269 36.537 0.203 17.63 4 10.4 6.1
24 1 3 0 18.276 36.552 0.204 17.62 4 15.3 13.1
25 0 0 2 18.564 37.128 0.207 17.02 2 15.3 6.3
26 4 0 0 18.628 37.256 0.207 16.9 2 57.0 86.7
27 0 1 2 19.513 39.027 0.217 15.25 4 10.7 5.5
28 4 1 0 19.575 39.149 0.217 15.14 4 45.4 98.8
29 0 3 1 20.029 40.058 0.222 14.39 4 58.5 155.6
30 2 3 0 20.044 40.088 0.222 14.37 4 70.2 223.7
31 1 1 -2 20.076 40.151 0.223 14.32 4 54.3 133.7
32 1 1 2 20.098 40.195 0.223 14.28 4 2.8 0.3
33 3 2 -1 20.567 41.135 0.228 13.56 4 72.6 226.0
34 1 3 -1 20.585 41.17 0.228 13.54 4 9.7 4.0
35 1 3 1 20.596 41.192 0.228 13.52 4 29.2 36.5
36 3 2 1 20.6 41.2 0.228 13.52 4 61.3 160.6
37 2 0 -2 20.844 41.689 0.231 13.16 2 43.8 39.9
38 2 0 2 20.887 41.774 0.231 13.1 2 11.8 2.9
39 4 0 -1 20.888 41.776 0.231 13.1 2 46.8 45.3
40 4 0 1 20.93 41.861 0.232 13.04 2 62.2 79.8
41 2 1 -2 21.71 43.42 0.24 12.02 4 3.9 0.6
42 2 1 2 21.751 43.503 0.241 11.96 4 6.4 1.6
43 4 1 -1 21.752 43.504 0.241 11.96 4 35.5 47.8
44 4 1 1 21.793 43.587 0.241 11.91 4 15.3 8.8
45 0 2 2 22.156 44.312 0.245 11.48 4 26.2 25.0
46 2 3 -1 22.194 44.388 0.245 11.43 4 27.2 26.8
47 4 2 0 22.211 44.423 0.245 11.41 4 13.5 6.6
48 2 3 1 22.214 44.428 0.245 11.41 4 3.2 0.4
49 1 2 -2 22.664 45.329 0.25 10.91 4 52.7 95.8
50 1 2 2 22.684 45.369 0.25 10.88 4 62.0 132.2
51 3 3 0 22.735 45.47 0.251 10.83 4 38.6 51.0
52 0 4 0 23.85 47.7 0.262 9.72 2 59.7 54.8
53 2 2 -2 24.158 48.316 0.266 9.44 4 13.0 5.1
54 2 2 2 24.196 48.392 0.266 9.4 4 27.9 23.2
55 4 2 -1 24.197 48.393 0.266 9.4 4 32.4 31.2
56 4 2 1 24.235 48.47 0.266 9.37 4 4.7 0.7
57 3 1 -2 24.243 48.485 0.267 9.36 4 62.4 115.3
58 3 1 2 24.3 48.599 0.267 9.31 4 70.8 147.7
59 5 1 0 24.323 48.645 0.267 9.29 4 22.1 14.4
60 1 4 0 24.34 48.681 0.268 9.28 4 36.8 39.8
61 3 3 -1 24.692 49.385 0.271 8.98 4 5.1 0.7
62 3 3 1 24.72 49.441 0.271 8.96 4 18.5 9.7
63 0 4 1 25.757 51.514 0.282 8.16 4 65.3 110.0
64 2 4 0 25.769 51.538 0.282 8.15 4 46.3 55.2
65 0 3 2 26.084 52.167 0.285 7.93 4 5.5 0.7
66 4 3 0 26.133 52.265 0.286 7.89 4 41.7 43.4
67 5 1 -1 26.181 52.362 0.286 7.86 4 26.1 16.9
68 1 4 -1 26.216 52.432 0.287 7.84 4 13.4 4.5
69 1 4 1 26.225 52.45 0.287 7.83 4 23.0 13.1
70 5 1 1 26.226 52.452 0.287 7.83 4 11.2 3.1
71 3 2 -2 26.511 53.022 0.29 7.64 4 13.3 4.3
72 1 3 -2 26.535 53.069 0.29 7.62 4 36.8 32.6
73 1 3 2 26.552 53.105 0.29 7.61 4 1.7 0.1
74 3 2 2 26.565 53.129 0.29 7.6 4 14.8 5.3
75 5 2 0 26.586 53.172 0.291 7.59 4 71.1 121.2
76 4 0 -2 26.771 53.543 0.292 7.47 2 76.5 69.1
77 4 0 2 26.842 53.684 0.293 7.43 2 17.5 3.6
78 4 1 -2 27.493 54.985 0.3 7.03 4 30.9 21.2
79 4 1 2 27.562 55.124 0.3 6.99 4 81.9 148.1
80 2 4 -1 27.57 55.141 0.3 6.99 4 3.3 0.2
81 2 4 1 27.588 55.175 0.301 6.98 4 4.6 0.5
82 2 3 -2 27.874 55.748 0.303 6.81 4 79.3 135.6
83 2 3 2 27.908 55.817 0.304 6.8 4 70.0 105.3
84 4 3 -1 27.909 55.818 0.304 6.8 4 60.0 77.3
85 4 3 1 27.943 55.887 0.304 6.78 4 53.6 61.6
86 3 4 0 28.033 56.067 0.305 6.73 4 11.2 2.6
87 5 2 -1 28.339 56.677 0.308 6.56 4 43.3 38.9
88 5 2 1 28.381 56.762 0.309 6.54 4 25.4 13.3
89 0 0 3 28.525 57.051 0.31 6.47 2 62.1 39.4
90 6 0 0 28.629 57.257 0.311 6.41 2 47.8 23.1
91 0 1 3 29.218 58.435 0.317 6.13 4 6.9 0.9
92 6 1 0 29.319 58.639 0.318 6.08 4 5.7 0.6
93 4 2 -2 29.586 59.171 0.32 5.96 4 46.8 41.3
94 1 1 -3 29.632 59.264 0.321 5.94 4 4.1 0.3
95 4 2 2 29.652 59.304 0.321 5.93 4 8.1 1.2
96 1 1 3 29.657 59.314 0.321 5.92 4 13.1 3.2
97 3 4 -1 29.737 59.475 0.322 5.89 4 2.3 0.1
98 3 4 1 29.762 59.524 0.322 5.88 4 26.6 13.2
99 3 3 -2 30.023 60.045 0.325 5.76 4 17.8 5.8
100 3 3 2 30.072 60.144 0.325 5.74 4 8.1 1.2
101 5 3 0 30.092 60.183 0.325 5.73 4 11.7 2.5
102 2 0 -3 30.21 60.421 0.327 5.68 2 10.7 1.0
103 2 0 3 30.259 60.519 0.327 5.66 2 72.8 47.4
104 6 0 -1 30.299 60.598 0.327 5.65 2 72.1 46.4
105 6 0 1 30.348 60.696 0.328 5.63 2 60.8 32.9
106 1 5 0 30.777 61.555 0.332 5.45 4 17.2 5.1
107 2 1 -3 30.879 61.758 0.333 5.41 4 50.5 43.7
108 2 1 3 30.928 61.855 0.334 5.4 4 34.5 20.3
109 6 1 -1 30.967 61.933 0.334 5.38 4 0.9 0.0
110 0 4 2 30.973 61.946 0.334 5.38 4 12.9 2.8
111 6 1 1 31.015 62.03 0.334 5.36 4 12.7 2.7
112 4 4 0 31.017 62.034 0.334 5.36 4 13.0 2.9
113 0 2 3 31.237 62.474 0.337 5.28 4 22.8 8.7
114 5 1 -2 31.331 62.661 0.338 5.24 4 2.5 0.1
115 6 2 0 31.335 62.67 0.338 5.24 4 57.7 55.1
116 1 4 -2 31.378 62.755 0.338 5.23 4 33.3 18.3
117 1 4 2 31.394 62.787 0.338 5.22 4 1.4 0.0
118 5 1 2 31.411 62.821 0.338 5.21 4 15.1 3.8
119 1 2 -3 31.636 63.271 0.34 5.13 4 34.6 19.4
120 1 2 3 31.659 63.319 0.341 5.12 4 36.4 21.5
121 5 3 -1 31.719 63.438 0.341 5.1 4 1.2 0.0
122 5 3 1 31.759 63.517 0.342 5.09 4 21.4 7.4
123 0 5 1 31.999 63.998 0.344 5.01 4 29.0 13.3
124 2 5 0 32.01 64.02 0.344 5.0 4 23.2 8.5
125 1 5 -1 32.4 64.801 0.348 4.87 4 49.1 37.2
126 1 5 1 32.408 64.816 0.348 4.87 4 25.4 10.0
127 2 4 -2 32.59 65.179 0.35 4.81 4 21.2 6.8
128 2 4 2 32.621 65.242 0.35 4.8 4 42.1 27.0
129 4 4 -1 32.622 65.243 0.35 4.8 4 25.0 9.5
130 4 4 1 32.653 65.306 0.35 4.79 4 38.0 21.8
131 2 2 -3 32.838 65.677 0.352 4.73 4 7.9 0.9
132 2 2 3 32.885 65.771 0.352 4.72 4 10.7 1.7
133 4 3 -2 32.888 65.777 0.352 4.72 4 8.1 1.0
134 3 1 -3 32.904 65.808 0.353 4.71 4 38.6 22.2
135 6 2 -1 32.923 65.846 0.353 4.71 4 28.6 12.2
136 4 3 2 32.951 65.902 0.353 4.7 4 8.1 1.0
137 6 2 1 32.97 65.94 0.353 4.69 4 23.2 8.0
138 3 1 3 32.974 65.948 0.353 4.69 4 26.7 10.6
139 5 2 -2 33.275 66.55 0.356 4.6 4 13.7 2.7
140 5 2 2 33.353 66.706 0.357 4.58 4 27.6 11.0
141 2 5 -1 33.596 67.193 0.359 4.51 4 4.5 0.3
142 2 5 1 33.612 67.224 0.359 4.51 4 23.3 7.7
143 3 5 0 34.01 68.019 0.363 4.4 4 13.0 2.4
144 0 3 3 34.451 68.902 0.367 4.28 4 60.2 49.1
145 6 3 0 34.544 69.088 0.368 4.26 4 20.2 5.5
146 3 4 -2 34.565 69.129 0.368 4.25 4 27.5 10.2
147 3 4 2 34.61 69.221 0.369 4.24 4 3.4 0.2
148 7 1 0 34.615 69.229 0.369 4.24 4 11.0 1.6
149 5 4 0 34.629 69.258 0.369 4.24 4 1.1 0.0
150 3 2 -3 34.803 69.605 0.37 4.19 4 9.6 1.2
151 1 3 -3 34.83 69.66 0.371 4.19 4 1.4 0.0
152 1 3 3 34.853 69.706 0.371 4.18 4 12.0 1.9
153 3 2 3 34.871 69.742 0.371 4.18 4 42.4 23.7
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 7.402 14.803 5.97937 60.6 8.2 8.3 5.6
2 0 0 1 9.159 18.319 4.83899 103.9 14.0 14.2 5.6
3 2 0 0 9.19 18.38 4.82299 11.3 1.5 1.5 5.6
4 0 2 0 11.664 23.328 3.81 35.6 4.8 4.8 5.6
5 1 1 1 11.825 23.651 3.75874 411.3 55.5 55.9 5.6
6 2 0 -1 13.016 26.031 3.42019 14.1 1.9 1.9 5.6
7 2 0 1 13.048 26.096 3.41184 261.6 35.3 35.5 5.6
8 2 1 -1 14.292 28.584 3.12029 581.4 78.5 78.7 5.6
9 2 1 1 14.322 28.643 3.11395 331.9 44.8 44.9 5.6
10 0 2 1 14.911 29.822 2.99349 445.8 60.2 60.3 5.6
11 1 2 -1 15.623 31.246 2.8602 740.6 100.0 100.0 5.6
12 2 2 1 17.641 35.283 2.54169 49.6 6.7 6.7 5.7
13 3 1 -1 17.732 35.465 2.52908 115.4 15.6 15.5 5.7
14 3 1 1 17.769 35.538 2.52401 271.0 36.6 36.4 5.7
15 1 3 0 18.276 36.552 2.45627 19.2 2.6 2.6 5.7
16 4 0 0 18.628 37.256 2.41149 86.7 11.7 11.6 5.7
17 4 1 0 19.575 39.149 2.29911 98.8 13.3 13.2 5.7
18 2 3 0 20.044 40.088 2.24739 379.3 51.2 50.8 5.7
19 1 1 -2 20.076 40.151 2.24402 134.0 18.1 17.9 5.7
20 3 2 -1 20.567 41.135 2.1926 266.5 36.0 35.7 5.7
21 3 2 1 20.6 41.2 2.1893 160.6 21.7 21.5 5.7
22 2 0 -2 20.844 41.689 2.16474 39.9 5.4 5.3 5.7
23 4 0 -1 20.888 41.776 2.16044 48.2 6.5 6.4 5.7
24 4 0 1 20.93 41.861 2.15623 79.8 10.8 10.7 5.7
25 4 1 -1 21.752 43.504 2.07851 49.4 6.7 6.6 5.7
26 4 1 1 21.793 43.587 2.07476 8.8 1.2 1.2 5.7
27 0 2 2 22.156 44.312 2.04246 25.0 3.4 3.3 5.7
28 2 3 -1 22.194 44.388 2.03917 33.7 4.6 4.5 5.7
29 1 2 2 22.684 45.369 1.99732 228.0 30.8 30.4 5.7
30 3 3 0 22.735 45.47 1.99312 51.0 6.9 6.8 5.7
31 0 4 0 23.85 47.7 1.905 54.8 7.4 7.3 5.7
32 4 2 -1 24.197 48.393 1.87933 54.3 7.3 7.2 5.7
33 3 1 -2 24.243 48.485 1.87598 115.3 15.6 15.3 5.7
34 3 1 2 24.3 48.599 1.87185 162.1 21.9 21.5 5.7
35 1 4 0 24.34 48.681 1.8689 39.8 5.4 5.3 5.7
36 3 3 1 24.72 49.441 1.84194 9.7 1.3 1.3 5.7
37 0 4 1 25.757 51.514 1.77259 165.2 22.3 21.8 5.8
38 4 3 0 26.133 52.265 1.74885 43.4 5.9 5.7 5.8
39 5 1 -1 26.181 52.362 1.74583 16.9 2.3 2.2 5.8
40 1 4 1 26.225 52.45 1.74312 20.7 2.8 2.7 5.8
41 1 3 -2 26.535 53.069 1.72423 36.9 5.0 4.9 5.8
42 5 2 0 26.586 53.172 1.72113 126.5 17.1 16.7 5.8
43 4 0 -2 26.771 53.543 1.7101 69.1 9.3 9.1 5.8
44 4 1 -2 27.493 54.985 1.66859 21.2 2.9 2.8 5.8
45 4 1 2 27.562 55.124 1.66471 148.8 20.1 19.6 5.8
46 2 3 -2 27.874 55.748 1.64756 135.6 18.3 17.8 5.8
47 2 3 2 27.908 55.817 1.64569 182.6 24.7 24.0 5.8
48 4 3 1 27.943 55.887 1.6438 61.6 8.3 8.1 5.8
49 5 2 -1 28.339 56.677 1.62273 38.9 5.3 5.1 5.8
50 5 2 1 28.381 56.762 1.6205 13.3 1.8 1.8 5.8
51 0 0 3 28.525 57.051 1.613 39.4 5.3 5.2 5.8
52 6 0 0 28.629 57.257 1.60766 23.1 3.1 3.0 5.8
53 4 2 -2 29.586 59.171 1.56015 41.3 5.6 5.4 5.8
54 3 4 1 29.762 59.524 1.55173 13.2 1.8 1.7 5.8
55 2 0 3 30.259 60.519 1.52859 47.4 6.4 6.2 5.8
56 6 0 -1 30.299 60.598 1.52678 46.4 6.3 6.1 5.8
57 6 0 1 30.348 60.696 1.52455 32.9 4.4 4.3 5.8
58 2 1 -3 30.879 61.758 1.50085 43.7 5.9 5.7 5.8
59 2 1 3 30.928 61.855 1.49873 20.3 2.7 2.6 5.8
60 0 2 3 31.237 62.474 1.48537 8.7 1.2 1.1 5.8
61 6 2 0 31.335 62.67 1.4812 55.1 7.4 7.2 5.8
62 1 4 -2 31.378 62.755 1.47938 18.4 2.5 2.4 5.9
63 1 2 3 31.659 63.319 1.46757 40.9 5.5 5.3 5.9
64 0 5 1 31.999 63.998 1.45361 21.9 3.0 2.8 5.9
65 1 5 -1 32.4 64.801 1.43754 47.1 6.4 6.1 5.9
66 2 4 2 32.621 65.242 1.42888 36.4 4.9 4.7 5.9
67 4 4 1 32.653 65.306 1.42764 21.8 2.9 2.8 5.9
68 3 1 -3 32.904 65.808 1.41796 38.1 5.1 4.9 5.9
69 3 1 3 32.974 65.948 1.41528 18.5 2.5 2.4 5.9
70 5 2 2 33.353 66.706 1.40104 11.0 1.5 1.4 5.9
71 2 5 1 33.612 67.224 1.39149 7.7 1.0 1.0 5.9
72 0 3 3 34.451 68.902 1.36164 49.1 6.6 6.3 5.9
73 3 4 -2 34.565 69.129 1.35771 15.7 2.1 2.0 5.9
74 3 2 3 34.871 69.742 1.34728 25.6 3.5 3.3 5.9
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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