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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APATITE
5, rare-earth bearing, f-apatite
Ca(10)[PO(4)](6)(OH,F,Cl)(2)
Hexagonal P 6(3)/m Z = 1
R =0.018 NR =557
12 .3 .1992
Ref.Str.:
Hughes J.M., Cameron M., Mariano A.N. (1991)
* Amer. Mineral., 76, 1165-1173
Reserv:
[Ca(9.41)Na(0.10)Sr(0.03)Y(0.07)La(0.11)Ce(0.22)Nd(0.07)Sm(0.01)Gd(0.01)-
Dy(0.01)Er(0.01)](10.05)[P(5.51)Si(0.44Ti(0.01)Al(0.01)](5.97)O(24)F(1.98)
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.3908 alpha = 90.0
b = 9.3908 beta = 90.0
c = 6.8988 gamma = 120.0
Unit cell volume (cub. angs.) = 526.88
Molar volume ( cub.cm/mol.) = 317.36
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6667 0.3333 0.0007 1.02 Ca = 0.94, Na = 0.03
2 0.9913 0.2403 0.25 1.02 Ca = 0.92, Ce = 0.04, La = 0.02
3 0.3693 0.3983 0.25 0.72 P = 0.92, Si = 0.07
4 0.4843 0.3261 0.25 1.09 O = 1.00
5 0.4667 0.5875 0.25 1.23 O = 1.00
6 0.2572 0.3417 0.0704 1.47 O = 1.00
7 0.0 0.0 0.25 2.56 F = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6667 0.3333 0.0007
2 2 0.9913 0.2403 0.25
3 3 0.3693 0.3983 0.25
4 4 0.4843 0.3261 0.25
5 5 0.4667 0.5875 0.25
6 6 0.2572 0.3417 0.0704
7 7 0.0 0.0 0.25
8 2 0.7597 0.7511 0.25
9 2 0.2489 0.0087 0.25
10 3 0.6017 0.971 0.25
11 3 0.029 0.6307 0.25
12 4 0.6739 0.1582 0.25
13 4 0.8418 0.5157 0.25
14 5 0.4125 0.8792 0.25
15 5 0.1208 0.5333 0.25
16 6 0.6583 0.9155 0.0704
17 6 0.0845 0.7428 0.0704
18 1 0.3333 0.6667 0.5007
19 2 0.0087 0.7597 0.75
20 3 0.6307 0.6017 0.75
21 4 0.5157 0.6739 0.75
22 5 0.5333 0.4125 0.75
23 6 0.7428 0.6583 0.5704
24 7 0.0 0.0 0.75
25 2 0.2403 0.2489 0.75
26 2 0.7511 0.9913 0.75
27 3 0.3983 0.029 0.75
28 3 0.971 0.3693 0.75
29 4 0.3261 0.8418 0.75
30 4 0.1582 0.4843 0.75
31 5 0.5875 0.1208 0.75
32 5 0.8792 0.4667 0.75
33 6 0.3417 0.0845 0.5704
34 6 0.9155 0.2572 0.5704
35 1 0.6667 0.3333 0.4993
36 6 0.2572 0.3417 0.4296
37 6 0.6583 0.9155 0.4296
38 6 0.0845 0.7428 0.4296
39 1 0.3333 0.6667 0.9993
40 6 0.7428 0.6583 0.9296
41 6 0.3417 0.0845 0.9296
42 6 0.9155 0.2572 0.9296
X-ray density (g/cm cub.) = 3.24
MU (1/cm) = 303.963 Mass attenuation coefficient (cm**2/g) = 93.732
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ca ,Na 2.88 9
2.404 4
2.404 4
2.404 4
2.4584 5
2.4583 5
2.4583 5
2.8077 6
2.8076 6
2.8075 6
2 Ca ,Ce ,La 2.88 7
2.5096 6
2.298 7
2.68 4
2.3886 5
2.3519 6
2.5096 6
2.3519 6
3 P ,Si 2.232 4
1.536 4
1.5388 5
1.5382 6
1.5382 6
4 O 3.264 7
2.5414 5
2.5332 6
2.9093 4
2.9093 4
2.9645 6
2.5332 6
2.9645 6
5 O 3.264 9
2.5414 4
2.4885 6
3.026 5
3.026 5
2.9526 6
3.2135 6
2.4885 6
2.9526 6
3.2135 6
6 O 3.264 9
2.5332 4
2.4885 5
3.1488 7
2.9526 5
3.2135 5
2.9646 4
2.478 6
3.0534 6
3.0535 6
7 F 3.228 6
3.1488 6
3.1488 6
3.1489 6
3.1488 6
3.1488 6
3.1489 6
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 0 0 5.435 10.87 0.061 219.97 6 11.7 64.9
2 1 0 1 8.419 16.838 0.095 90.35 12 11.4 50.4
3 1 1 0 9.442 18.884 0.106 71.39 6 17.4 46.8
4 2 0 0 10.919 21.839 0.123 52.84 6 29.7 101.0
5 1 1 1 11.446 22.892 0.129 47.9 12 15.6 50.2
6 2 0 1 12.702 25.405 0.143 38.5 12 11.1 20.6
7 0 0 2 12.903 25.807 0.145 37.25 2 157.4 665.2
8 1 0 2 14.038 28.076 0.157 31.16 12 39.2 207.3
9 1 2 0 14.512 29.025 0.163 29.03 6 62.2 242.6
10 2 1 0 14.512 29.025 0.163 29.03 6 18.2 20.8
11 1 2 1 15.923 31.845 0.178 23.79 12 108.8 1217.9
12 2 1 1 15.923 31.845 0.178 23.79 12 72.8 545.0
13 1 1 2 16.087 32.173 0.18 23.27 12 79.5 635.7
14 3 0 0 16.508 33.015 0.184 22.0 6 133.8 851.1
15 2 0 2 17.028 34.055 0.19 20.57 12 61.3 333.8
16 3 0 1 17.776 35.552 0.198 18.73 12 25.7 53.5
17 2 2 0 19.153 38.307 0.213 15.89 6 6.5 1.5
18 1 2 2 19.612 39.224 0.218 15.08 12 27.5 49.3
19 2 1 2 19.612 39.224 0.218 15.08 12 18.2 21.5
20 1 3 0 19.968 39.936 0.222 14.49 6 46.9 68.9
21 3 1 0 19.968 39.936 0.222 14.49 6 93.4 273.1
22 2 2 1 20.278 40.556 0.225 14.0 12 29.4 52.2
23 1 0 3 20.371 40.742 0.226 13.86 12 9.6 5.6
24 1 3 1 21.056 42.113 0.233 12.87 12 23.7 31.4
25 3 1 1 21.056 42.113 0.233 12.87 12 31.4 54.8
26 3 0 2 21.186 42.371 0.235 12.69 12 14.8 12.0
27 1 1 3 21.899 43.799 0.242 11.78 12 40.9 85.4
28 4 0 0 22.263 44.526 0.246 11.35 6 35.7 31.2
29 2 0 3 22.632 45.265 0.25 10.94 12 35.4 59.1
30 4 0 1 23.264 46.528 0.256 10.28 12 8.5 3.2
31 2 2 2 23.383 46.767 0.258 10.16 12 98.4 425.8
32 1 3 2 24.081 48.162 0.265 9.51 12 43.2 76.7
33 3 1 2 24.081 48.162 0.265 9.51 12 55.6 126.9
34 2 3 0 24.384 48.768 0.268 9.24 6 5.4 0.6
35 3 2 0 24.384 48.768 0.268 9.24 6 51.1 52.1
36 1 2 3 24.729 49.458 0.272 8.95 12 103.3 412.8
37 2 1 3 24.729 49.458 0.272 8.95 12 67.4 175.5
38 2 3 1 25.321 50.641 0.278 8.48 12 64.2 151.3
39 3 2 1 25.321 50.641 0.278 8.48 12 59.4 129.6
40 1 4 0 25.724 51.448 0.282 8.18 6 70.7 88.3
41 4 1 0 25.724 51.448 0.282 8.18 6 82.2 119.4
42 3 0 3 26.056 52.112 0.285 7.95 12 21.7 16.2
43 4 0 2 26.089 52.179 0.285 7.92 12 81.3 226.2
44 0 0 4 26.527 53.054 0.29 7.63 2 215.0 254.0
45 1 4 1 26.626 53.252 0.291 7.56 12 19.4 12.3
46 4 1 1 26.626 53.252 0.291 7.56 12 12.6 5.2
47 1 0 4 27.165 54.329 0.296 7.23 12 11.0 3.8
48 2 2 3 27.962 55.923 0.304 6.77 12 7.1 1.5
49 2 3 2 27.994 55.987 0.305 6.75 12 57.2 95.3
50 3 2 2 27.994 55.987 0.305 6.75 12 11.6 3.9
51 5 0 0 28.266 56.533 0.307 6.6 6 22.3 7.1
52 1 1 4 28.411 56.822 0.309 6.53 12 11.3 3.6
53 1 3 3 28.578 57.156 0.311 6.44 12 31.6 27.8
54 3 1 3 28.578 57.156 0.311 6.44 12 27.7 21.4
55 2 0 4 29.021 58.042 0.315 6.22 12 5.4 0.8
56 5 0 1 29.114 58.229 0.316 6.18 12 29.1 22.6
57 1 4 2 29.217 58.433 0.317 6.13 12 13.1 4.5
58 4 1 2 29.217 58.433 0.317 6.13 12 11.4 3.4
59 3 3 0 29.482 58.964 0.319 6.0 6 23.8 7.3
60 2 4 0 30.078 60.156 0.325 5.74 6 17.4 3.8
61 4 2 0 30.078 60.156 0.325 5.74 6 76.2 72.0
62 3 3 1 30.309 60.617 0.328 5.64 12 56.0 76.6
63 4 0 3 30.378 60.756 0.328 5.61 12 4.6 0.5
64 1 2 4 30.805 61.61 0.332 5.44 12 30.0 21.2
65 2 1 4 30.805 61.61 0.332 5.44 12 40.2 38.0
66 2 4 1 30.895 61.79 0.333 5.41 12 13.5 4.3
67 4 2 1 30.895 61.79 0.333 5.41 12 37.7 33.3
68 5 0 2 31.573 63.145 0.34 5.16 12 87.8 171.9
69 1 5 0 31.826 63.653 0.342 5.07 6 42.1 19.4
70 5 1 0 31.826 63.653 0.342 5.07 6 0.8 0.0
71 3 0 4 31.961 63.922 0.344 5.02 12 74.2 119.6
72 2 3 3 32.117 64.233 0.345 4.97 12 66.7 95.6
73 3 2 3 32.117 64.233 0.345 4.97 12 21.9 10.3
74 1 5 1 32.618 65.236 0.35 4.8 12 67.9 95.7
75 5 1 1 32.618 65.236 0.35 4.8 12 25.2 13.2
76 3 3 2 32.714 65.428 0.351 4.77 12 35.1 25.4
77 1 4 3 33.248 66.495 0.356 4.61 12 25.3 12.8
78 4 1 3 33.248 66.495 0.356 4.61 12 26.5 14.0
79 2 4 2 33.276 66.553 0.356 4.6 12 25.9 13.4
80 4 2 2 33.276 66.553 0.356 4.6 12 19.8 7.8
81 2 2 4 33.654 67.309 0.36 4.49 12 2.1 0.1
82 1 3 4 34.209 68.418 0.365 4.34 12 12.8 3.1
83 3 1 4 34.209 68.418 0.365 4.34 12 17.0 5.4
84 1 0 5 34.489 68.978 0.368 4.27 12 7.4 1.0
85 6 0 0 34.631 69.262 0.369 4.24 6 19.5 3.5
86 1 5 2 34.937 69.874 0.372 4.16 12 29.5 15.6
87 5 1 2 34.937 69.874 0.372 4.16 12 34.0 20.8
88 3 4 0 35.178 70.357 0.374 4.1 6 25.7 5.8
89 4 3 0 35.178 70.357 0.374 4.1 6 1.4 0.0
90 6 0 1 35.391 70.782 0.376 4.05 12 7.8 1.1
91 5 0 3 35.455 70.91 0.377 4.04 12 13.7 3.3
92 1 1 5 35.583 71.165 0.378 4.01 12 13.2 3.0
93 4 0 4 35.85 71.699 0.38 3.95 12 27.1 12.5
94 3 4 1 35.933 71.867 0.381 3.93 12 63.0 67.5
95 4 3 1 35.933 71.867 0.381 3.93 12 10.6 1.9
96 2 0 5 36.124 72.248 0.383 3.89 12 11.7 2.3
97 2 5 0 36.263 72.526 0.384 3.86 6 65.4 35.7
98 5 2 0 36.263 72.526 0.384 3.86 6 29.9 7.5
99 3 3 3 36.536 73.072 0.386 3.81 12 22.0 7.9
100 2 5 1 37.009 74.017 0.391 3.72 12 40.3 26.1
101 5 2 1 37.009 74.017 0.391 3.72 12 31.0 15.5
102 2 4 3 37.072 74.143 0.391 3.71 12 12.3 2.4
103 4 2 3 37.072 74.143 0.391 3.71 12 57.1 52.2
104 2 3 4 37.46 74.919 0.395 3.64 12 8.8 1.2
105 3 2 4 37.46 74.919 0.395 3.64 12 27.4 11.8
106 6 0 2 37.632 75.264 0.396 3.61 12 31.7 15.7
107 1 2 5 37.729 75.459 0.397 3.59 12 63.4 62.3
108 2 1 5 37.729 75.459 0.397 3.59 12 43.2 29.0
109 3 4 2 38.162 76.324 0.401 3.52 12 5.8 0.5
110 4 3 2 38.162 76.324 0.401 3.52 12 44.4 30.0
111 1 6 0 38.395 76.791 0.403 3.48 6 52.3 20.6
112 6 1 0 38.395 76.791 0.403 3.48 6 43.6 14.3
113 1 4 4 38.519 77.039 0.404 3.46 12 50.0 37.4
114 4 1 4 38.519 77.039 0.404 3.46 12 68.7 70.7
115 1 5 3 38.663 77.326 0.406 3.44 12 62.1 57.4
116 5 1 3 38.663 77.326 0.406 3.44 12 8.2 1.0
117 3 0 5 38.787 77.573 0.407 3.42 12 11.2 1.8
118 1 6 1 39.127 78.254 0.41 3.37 12 25.6 9.6
119 6 1 1 39.127 78.254 0.41 3.37 12 24.0 8.4
120 2 5 2 39.216 78.431 0.41 3.36 12 29.0 12.2
121 5 2 2 39.216 78.431 0.41 3.36 12 75.3 82.4
122 2 2 5 40.357 80.714 0.42 3.21 12 24.1 8.1
123 5 0 4 40.613 81.227 0.423 3.18 12 36.0 17.8
124 1 3 5 40.877 81.754 0.425 3.15 12 15.2 3.1
125 3 1 5 40.877 81.754 0.425 3.15 12 22.3 6.8
126 4 4 0 41.011 82.021 0.426 3.14 6 67.1 30.6
127 6 0 3 41.274 82.548 0.428 3.11 12 2.0 0.1
128 1 6 2 41.3 82.601 0.428 3.11 12 8.5 1.0
129 6 1 2 41.3 82.601 0.428 3.11 12 31.4 13.2
130 3 5 0 41.529 83.058 0.43 3.08 6 23.6 3.7
131 5 3 0 41.529 83.058 0.43 3.08 6 35.6 8.5
132 7 0 0 41.529 83.058 0.43 3.08 6 13.5 1.2
133 3 3 4 41.651 83.302 0.431 3.07 12 26.5 9.3
134 4 4 1 41.731 83.462 0.432 3.06 12 33.4 14.7
135 3 4 3 41.792 83.583 0.433 3.06 12 68.0 61.1
136 4 3 3 41.792 83.583 0.433 3.06 12 2.1 0.1
137 0 0 6 42.061 84.123 0.435 3.03 2 115.2 29.0
138 2 4 4 42.168 84.336 0.436 3.02 12 41.9 22.9
139 4 2 4 42.168 84.336 0.436 3.02 12 50.7 33.6
140 3 5 1 42.248 84.495 0.436 3.02 12 12.6 2.1
141 5 3 1 42.248 84.495 0.436 3.02 12 5.7 0.4
142 7 0 1 42.248 84.495 0.436 3.02 12 3.9 0.2
143 4 0 5 42.43 84.859 0.438 3.0 12 10.0 1.3
144 1 0 6 42.578 85.155 0.439 2.99 12 24.2 7.5
145 2 5 3 42.824 85.648 0.441 2.97 12 39.2 19.7
146 5 2 3 42.824 85.648 0.441 2.97 12 28.1 10.2
147 2 6 0 43.078 86.156 0.443 2.95 6 8.3 0.4
148 6 2 0 43.078 86.156 0.443 2.95 6 24.7 3.9
149 1 1 6 43.608 87.216 0.448 2.91 12 64.9 52.9
150 1 5 4 43.714 87.428 0.449 2.9 12 48.8 29.9
151 5 1 4 43.714 87.428 0.449 2.9 12 1.1 0.0
152 2 6 1 43.793 87.587 0.449 2.9 12 2.3 0.1
153 6 2 1 43.793 87.587 0.449 2.9 12 17.5 3.8
154 4 4 2 43.88 87.761 0.45 2.89 12 24.8 7.7
155 2 3 5 43.975 87.95 0.451 2.89 12 38.2 18.2
156 3 2 5 43.975 87.95 0.451 2.89 12 44.6 24.9
157 2 0 6 44.122 88.245 0.452 2.88 12 15.5 3.0
158 3 5 2 44.395 88.789 0.454 2.86 12 63.1 49.2
159 5 3 2 44.395 88.789 0.454 2.86 12 62.2 47.8
160 7 0 2 44.395 88.789 0.454 2.86 12 32.5 13.0
161 1 6 3 44.882 89.764 0.458 2.83 12 6.5 0.5
162 6 1 3 44.882 89.764 0.458 2.83 12 23.7 6.9
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 0 0 5.435 10.87 8.13267 64.9 3.7 3.7 5.6
2 1 0 1 8.419 16.838 5.26092 50.4 2.9 2.9 5.6
3 1 1 0 9.442 18.884 4.6954 46.8 2.7 2.7 5.6
4 2 0 0 10.919 21.839 4.06634 101.0 5.7 5.8 5.6
5 1 1 1 11.446 22.892 3.88165 50.2 2.8 2.9 5.6
6 2 0 1 12.702 25.405 3.50309 20.6 1.2 1.2 5.6
7 0 0 2 12.903 25.807 3.4494 665.2 37.7 37.9 5.6
8 1 0 2 14.038 28.076 3.17557 207.3 11.8 11.8 5.6
9 1 2 0 14.512 29.025 3.07386 263.4 14.9 15.0 5.6
10 1 2 1 15.923 31.845 2.80776 1762.9 100.0 100.0 5.6
11 1 1 2 16.087 32.173 2.77989 635.7 36.1 36.0 5.6
12 3 0 0 16.508 33.015 2.71089 851.1 48.3 48.2 5.6
13 2 0 2 17.028 34.055 2.63046 333.8 18.9 18.9 5.7
14 3 0 1 17.776 35.552 2.52308 53.5 3.0 3.0 5.7
15 1 2 2 19.612 39.224 2.29488 70.8 4.0 4.0 5.7
16 3 1 0 19.968 39.936 2.2556 342.0 19.4 19.3 5.7
17 2 2 1 20.278 40.556 2.22253 52.2 3.0 2.9 5.7
18 3 1 1 21.056 42.113 2.14391 86.1 4.9 4.8 5.7
19 1 1 3 21.899 43.799 2.06522 85.4 4.8 4.8 5.7
20 4 0 0 22.263 44.526 2.03317 31.2 1.8 1.8 5.7
21 2 0 3 22.632 45.265 2.00169 59.1 3.4 3.3 5.7
22 2 2 2 23.383 46.767 1.94082 425.8 24.2 23.8 5.7
23 3 1 2 24.081 48.162 1.88781 203.6 11.6 11.4 5.7
24 3 2 0 24.384 48.768 1.86576 52.1 3.0 2.9 5.7
25 1 2 3 24.729 49.458 1.84135 588.3 33.4 32.8 5.7
26 2 3 1 25.321 50.641 1.80106 280.9 15.9 15.6 5.8
27 4 1 0 25.724 51.448 1.77469 207.7 11.8 11.5 5.8
28 4 0 2 26.089 52.179 1.75154 226.2 12.8 12.6 5.8
29 0 0 4 26.527 53.054 1.7247 254.0 14.4 14.1 5.8
30 2 3 2 27.994 55.987 1.64108 99.3 5.6 5.5 5.8
31 1 3 3 28.578 57.156 1.61028 49.2 2.8 2.7 5.8
32 5 0 1 29.114 58.229 1.58313 22.6 1.3 1.2 5.8
33 4 2 0 30.078 60.156 1.53693 75.8 4.3 4.2 5.8
34 3 3 1 30.309 60.617 1.52635 76.6 4.3 4.2 5.8
35 2 1 4 30.805 61.61 1.50411 59.2 3.4 3.2 5.8
36 4 2 1 30.895 61.79 1.50015 37.5 2.1 2.1 5.8
37 5 0 2 31.573 63.145 1.47118 171.9 9.8 9.4 5.9
38 1 5 0 31.826 63.653 1.46067 19.4 1.1 1.1 5.9
39 3 0 4 31.961 63.922 1.45516 119.6 6.8 6.5 5.9
40 2 3 3 32.117 64.233 1.44887 105.8 6.0 5.8 5.9
41 1 5 1 32.618 65.236 1.42899 108.9 6.2 5.9 5.9
42 3 3 2 32.714 65.428 1.42528 25.4 1.4 1.4 5.9
43 2 4 2 33.276 66.553 1.40388 47.9 2.7 2.6 5.9
44 5 1 2 34.937 69.874 1.34505 36.4 2.1 2.0 5.9
45 3 4 1 35.933 71.867 1.31258 69.4 3.9 3.7 5.9
46 2 5 0 36.263 72.526 1.30227 43.1 2.4 2.3 5.9
47 2 5 1 37.009 74.017 1.27967 41.6 2.4 2.2 6.0
48 4 2 3 37.072 74.143 1.27781 54.6 3.1 2.9 6.0
49 1 2 5 37.729 75.459 1.25877 91.3 5.2 4.9 6.0
50 4 3 2 38.162 76.324 1.24663 30.0 1.7 1.6 6.0
51 1 6 0 38.395 76.791 1.24022 34.9 2.0 1.9 6.0
52 4 1 4 38.519 77.039 1.23684 108.1 6.1 5.8 6.0
53 1 5 3 38.663 77.326 1.23297 58.4 3.3 3.1 6.0
54 1 6 1 39.127 78.254 1.22065 17.9 1.0 1.0 6.0
55 5 2 2 39.216 78.431 1.21833 94.6 5.4 5.0 6.0
56 5 0 4 40.613 81.227 1.18332 17.8 1.0 0.9 6.1
57 4 4 0 41.011 82.021 1.17385 30.6 1.7 1.6 6.1
58 3 4 3 41.792 83.583 1.15584 61.1 3.5 3.2 6.1
59 0 0 6 42.061 84.123 1.1498 29.0 1.6 1.5 6.1
60 4 2 4 42.168 84.336 1.14744 56.6 3.2 3.0 6.1
61 2 5 3 42.824 85.648 1.13318 29.8 1.7 1.6 6.1
62 1 1 6 43.608 87.216 1.1168 52.9 3.0 2.8 6.2
63 1 5 4 43.714 87.428 1.11464 30.0 1.7 1.6 6.2
64 3 2 5 43.975 87.95 1.10937 43.1 2.4 2.2 6.2
65 3 5 2 44.395 88.789 1.10103 110.1 6.2 5.7 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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