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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KULANITE
1, f-apatite, g-penikisite
Ba(Fe,Mg,Mn)(2)(Al,Fe)(2)[PO(4)](3)(OH)(3)
Monoclinic P 2(1)/m Z = 2
R =0.021 NR =1584
25 .9 .1997
Ref.Str.:
Cooper M., Hawthorne F.C. (1994)
* Canad. Mineral., 32, 15-16
Reserv:
There are U(ij) in the article. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.014 alpha = 90.0
b = 12.074 beta = 100.48
c = 4.926 gamma = 90.0
Unit cell volume (cub. angs.) = 527.18
Molar volume ( cub.cm/mol.) = 158.77
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.547 0.75 0.741 0.82 Ba = 1.00
2 0.2952 0.8898 0.2092 0.78 Al = 0.94, Fe = 0.06
3 0.0914 0.4005 0.1287 0.61 Fe = 0.59, Mn = 0.04, Mg = 0.3
4 0.1559 0.75 0.686 0.62 P = 1.00
5 0.3326 0.4418 0.7046 0.64 P = 1.00
6 0.2781 0.75 0.9471 0.94 O = 1.00
7 0.2313 0.75 0.4325 0.9 O = 1.00
8 0.0595 0.6453 0.6865 0.96 O = 1.00
9 0.3679 0.5565 0.6099 1.04 O = 1.00
10 0.2581 0.4521 0.9668 1.03 O = 1.00
11 0.2266 0.381 0.47 1.15 O = 1.00
12 0.4737 0.37 0.7881 1.09 O = 1.00
13 0.1236 0.25 0.0067 0.98 O = 1.00
14 0.0593 0.5572 0.1907 0.93 O = 1.00
15 0.117 0.228 0.186 1.0 H = 1.00
16 0.034 0.599 0.346 1.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.547 0.75 0.741
2 2 0.2952 0.8898 0.2092
3 3 0.0914 0.4005 0.1287
4 4 0.1559 0.75 0.686
5 5 0.3326 0.4418 0.7046
6 6 0.2781 0.75 0.9471
7 7 0.2313 0.75 0.4325
8 8 0.0595 0.6453 0.6865
9 9 0.3679 0.5565 0.6099
10 10 0.2581 0.4521 0.9668
11 11 0.2266 0.381 0.47
12 12 0.4737 0.37 0.7881
13 13 0.1236 0.25 0.0067
14 14 0.0593 0.5572 0.1907
15 15 0.117 0.228 0.186
16 16 0.034 0.599 0.346
17 1 0.453 0.25 0.259
18 2 0.7048 0.3898 0.7908
19 3 0.9086 0.9005 0.8713
20 4 0.8441 0.25 0.314
21 5 0.6674 0.9418 0.2954
22 6 0.7219 0.25 0.0529
23 7 0.7687 0.25 0.5675
24 8 0.9405 0.1453 0.3135
25 9 0.6321 0.0565 0.3901
26 10 0.7419 0.9521 0.0332
27 11 0.7734 0.881 0.53
28 12 0.5263 0.87 0.2119
29 13 0.8764 0.75 0.9933
30 14 0.9407 0.0572 0.8093
31 15 0.883 0.728 0.814
32 16 0.966 0.099 0.654
33 2 0.2952 0.6102 0.2092
34 3 0.0914 0.0995 0.1287
35 5 0.3326 0.0582 0.7046
36 8 0.0595 0.8547 0.6865
37 9 0.3679 0.9435 0.6099
38 10 0.2581 0.0479 0.9668
39 11 0.2266 0.119 0.47
40 12 0.4737 0.13 0.7881
41 14 0.0593 0.9428 0.1907
42 15 0.117 0.272 0.186
43 16 0.034 0.901 0.346
44 2 0.7048 0.1102 0.7908
45 3 0.9086 0.5995 0.8713
46 5 0.6674 0.5582 0.2954
47 8 0.9405 0.3547 0.3135
48 9 0.6321 0.4435 0.3901
49 10 0.7419 0.5479 0.0332
50 11 0.7734 0.619 0.53
51 12 0.5263 0.63 0.2119
52 14 0.9407 0.4428 0.8093
53 15 0.883 0.772 0.814
54 16 0.966 0.401 0.654
X-ray density (g/cm cub.) = 3.89
MU (1/cm) = 547.793 Mass attenuation coefficient (cm**2/g) = 140.83
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ba 3.288 13
2.793 6
2.9723 7
2.8465 9
3.1926 10
2.9186 11
2.7699 12
2.9581 12
3.0031 13
2.8465 9
3.1926 10
2.9186 11
2.7699 12
2.9581 12
2 Al ,Fe 2.592 6
2.1136 6
2.1497 7
2.0944 12
2.0677 9
2.2442 10
2.2066 14
3 Fe ,Mn ,Mg 2.724 6
1.9282 10
1.9031 11
1.9521 13
1.9465 14
1.8534 8
1.9504 14
4 P 2.232 4
1.5337 6
1.5264 7
1.5343 8
1.5343 8
5 P 2.232 4
1.5135 9
1.5653 10
1.5446 11
1.5323 12
6 O 3.264 8
2.5024 7
2.4929 7
2.4917 8
3.0597 9
2.7829 12
2.4917 8
3.0597 9
2.7829 12
7 O 3.264 8
2.4929 6
2.5024 6
2.5033 8
2.7105 9
2.9274 14
2.5033 8
2.7105 9
2.9274 14
8 O 3.264 10
2.4917 6
2.5033 7
3.0662 9
3.107 10
2.7022 14
2.6636 14
2.7411 13
2.5283 8
2.5735 11
2.7796 14
9 O 3.264 10
3.0597 6
2.7105 7
3.0662 8
2.5085 10
2.5036 11
2.5389 12
3.1484 14
3.1054 9
3.1749 12
2.7728 12
10 O 3.264 8
3.107 8
2.5085 9
2.6866 11
2.56 11
2.4813 12
2.7476 13
2.5994 14
2.8271 14
11 O 3.264 8
2.5036 9
2.56 10
2.6866 10
2.4828 12
2.7931 13
2.8175 14
3.1634 11
2.5735 8
12 O 3.264 7
2.5389 9
2.4813 10
2.4828 11
2.7829 6
2.8978 12
3.1749 9
2.7728 9
13 O 3.264 8
2.7476 10
2.7931 11
2.7411 8
2.9154 14
2.7476 10
2.7931 11
2.7411 8
2.9154 14
14 O 3.264 10
2.9274 7
2.6636 8
2.7022 8
3.1484 9
2.5994 10
2.8175 11
2.9154 13
2.7796 8
2.8271 10
2.4187 14
15 H 1.632 1
0.9345 13
16 H 1.632 1
0.9775 14
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 0 0 5.792 11.584 0.056 193.42 2 39.3 215.4
2 1 1 0 7.192 14.383 0.07 124.66 4 13.0 30.3
3 0 2 0 8.52 17.041 0.083 88.17 2 42.7 115.5
4 1 2 0 10.327 20.654 0.1 59.33 4 68.6 402.3
5 0 0 1 10.641 21.283 0.103 55.75 2 29.4 34.6
6 1 0 -1 11.166 22.333 0.108 50.43 2 76.7 213.3
7 0 1 1 11.476 22.953 0.111 47.63 4 107.0 785.5
8 2 0 0 11.644 23.288 0.113 46.21 2 24.5 20.0
9 1 1 -1 11.967 23.934 0.116 43.64 4 33.1 69.0
10 2 1 0 12.415 24.83 0.12 40.4 4 36.3 76.7
11 1 0 1 13.06 26.12 0.126 36.31 2 26.3 18.0
12 0 2 1 13.695 27.39 0.132 32.84 4 19.7 18.4
13 1 1 1 13.757 27.514 0.133 32.53 4 2.8 0.4
14 1 2 -1 14.113 28.226 0.136 30.81 4 2.6 0.3
15 1 3 0 14.128 28.255 0.136 30.74 4 55.6 137.0
16 2 0 -1 14.332 28.664 0.138 29.81 2 42.0 37.8
17 2 2 0 14.5 28.999 0.14 29.08 4 77.9 254.2
18 2 1 -1 14.974 29.949 0.144 27.15 4 46.9 86.1
19 1 2 1 15.677 31.354 0.151 24.6 4 56.8 114.4
20 2 2 -1 16.768 33.535 0.161 21.27 4 128.1 502.2
21 0 3 1 16.795 33.59 0.162 21.19 4 158.0 761.5
22 1 3 -1 17.144 34.289 0.165 20.26 4 133.3 518.2
23 0 4 0 17.237 34.474 0.166 20.03 2 11.9 2.0
24 2 0 1 17.296 34.592 0.166 19.88 2 0.7 0.0
25 2 3 0 17.47 34.941 0.168 19.45 4 94.2 248.1
26 3 0 0 17.622 35.245 0.169 19.08 2 7.7 0.8
27 2 1 1 17.842 35.685 0.171 18.57 4 147.7 583.2
28 3 1 0 18.16 36.32 0.174 17.87 4 107.3 295.9
29 1 4 0 18.242 36.485 0.175 17.69 4 100.5 257.1
30 1 3 1 18.478 36.957 0.177 17.2 4 134.1 445.4
31 3 0 -1 18.946 37.892 0.181 16.28 2 62.3 45.5
32 2 2 1 19.401 38.802 0.186 15.44 4 123.1 336.8
33 2 3 -1 19.431 38.862 0.186 15.39 4 23.9 12.7
34 3 1 -1 19.452 38.904 0.186 15.35 4 141.5 442.7
35 3 2 0 19.697 39.395 0.188 14.93 4 139.1 415.8
36 0 4 1 20.436 40.871 0.195 13.76 4 13.9 3.8
37 1 4 -1 20.732 41.464 0.198 13.32 4 41.2 32.6
38 3 2 -1 20.909 41.818 0.199 13.07 4 62.0 72.2
39 2 4 0 21.01 42.02 0.2 12.93 4 30.7 17.6
40 1 0 -2 21.391 42.781 0.204 12.42 2 164.8 242.8
41 0 0 2 21.674 43.347 0.206 12.06 2 150.1 195.6
42 2 3 1 21.789 43.578 0.207 11.92 4 27.4 12.9
43 1 1 -2 21.85 43.699 0.208 11.84 4 18.9 6.1
44 1 4 1 21.879 43.759 0.208 11.81 4 38.1 24.7
45 3 3 0 22.059 44.118 0.21 11.59 4 73.9 91.2
46 0 1 2 22.128 44.256 0.211 11.51 4 14.4 3.4
47 3 0 1 22.471 44.942 0.214 11.12 2 70.4 39.7
48 1 5 0 22.576 45.152 0.215 11.0 4 32.2 16.4
49 2 4 -1 22.713 45.426 0.216 10.85 4 91.0 129.3
50 2 0 -2 22.788 45.575 0.217 10.77 2 65.3 33.1
51 3 1 1 22.913 45.825 0.218 10.64 4 37.4 21.4
52 3 3 -1 23.17 46.339 0.22 10.38 4 24.9 9.3
53 1 2 -2 23.183 46.366 0.22 10.36 4 39.3 23.0
54 2 1 -2 23.225 46.449 0.22 10.32 4 91.1 123.2
55 0 2 2 23.449 46.898 0.222 10.1 4 54.4 43.0
56 1 0 2 23.589 47.178 0.224 9.96 2 18.4 2.4
57 4 0 0 23.807 47.614 0.226 9.76 2 17.7 2.2
58 1 1 2 24.015 48.03 0.227 9.57 4 34.8 16.6
59 3 2 1 24.2 48.401 0.229 9.4 4 14.8 3.0
60 4 1 0 24.23 48.459 0.229 9.37 4 87.2 102.7
61 4 0 -1 24.344 48.688 0.23 9.27 2 32.6 7.1
62 0 5 1 24.449 48.898 0.231 9.18 4 62.2 51.2
63 2 2 -2 24.5 49.0 0.232 9.14 4 43.1 24.5
64 1 5 -1 24.707 49.414 0.234 8.97 4 148.6 285.0
65 4 1 -1 24.76 49.52 0.234 8.92 4 26.5 9.0
66 2 4 1 24.82 49.639 0.235 8.88 4 31.5 12.7
67 2 5 0 24.95 49.9 0.236 8.77 4 67.6 57.7
68 3 4 0 25.064 50.128 0.237 8.68 4 68.8 59.2
69 1 2 2 25.26 50.519 0.239 8.53 4 106.8 139.9
70 1 3 -2 25.284 50.567 0.239 8.51 4 11.2 1.5
71 4 2 0 25.467 50.933 0.24 8.37 4 41.4 20.6
72 0 3 2 25.533 51.066 0.241 8.32 4 14.9 2.7
73 3 0 -2 25.65 51.299 0.242 8.23 2 100.0 59.3
74 1 5 1 25.715 51.43 0.243 8.19 4 67.7 54.0
75 4 2 -1 25.978 51.957 0.245 8.0 4 99.8 114.8
76 3 1 -2 26.05 52.101 0.245 7.95 4 71.0 57.6
77 3 4 -1 26.077 52.153 0.246 7.93 4 81.2 75.3
78 3 3 1 26.24 52.48 0.247 7.82 4 58.7 38.8
79 0 6 0 26.391 52.781 0.248 7.72 2 222.9 275.9
80 2 5 -1 26.456 52.912 0.249 7.67 4 51.6 29.4
81 2 3 -2 26.523 53.045 0.25 7.63 4 73.1 58.6
82 2 0 2 26.868 53.736 0.253 7.41 2 142.4 108.0
83 1 6 0 27.116 54.233 0.255 7.26 4 40.3 17.0
84 3 2 -2 27.227 54.455 0.256 7.19 4 58.1 34.9
85 1 3 2 27.242 54.483 0.256 7.18 4 85.7 75.9
86 2 1 2 27.256 54.512 0.256 7.17 4 74.3 57.0
87 4 3 0 27.438 54.876 0.258 7.06 4 61.2 38.0
88 4 3 -1 27.925 55.849 0.262 6.79 4 85.9 72.0
89 1 4 -2 28.03 56.059 0.263 6.73 4 22.6 5.0
90 4 0 1 28.258 56.517 0.265 6.61 2 22.6 2.4
91 0 4 2 28.262 56.524 0.265 6.6 4 27.2 7.1
92 2 5 1 28.357 56.714 0.266 6.55 4 70.5 46.8
93 2 2 2 28.399 56.797 0.266 6.53 4 93.3 81.8
94 3 5 0 28.58 57.16 0.267 6.44 4 46.9 20.4
95 4 1 1 28.634 57.267 0.268 6.41 4 6.8 0.4
96 0 6 1 28.772 57.543 0.269 6.34 4 26.1 6.2
97 3 4 1 28.923 57.845 0.27 6.27 4 63.3 36.2
98 1 6 -1 29.002 58.005 0.271 6.23 4 72.1 46.6
99 3 3 -2 29.117 58.233 0.272 6.17 4 36.3 11.7
100 2 4 -2 29.188 58.375 0.273 6.14 4 82.1 59.5
101 2 6 0 29.22 58.44 0.273 6.13 4 21.2 4.0
102 3 5 -1 29.509 59.018 0.275 5.99 4 75.3 48.9
103 4 0 -2 29.675 59.35 0.277 5.92 2 95.7 39.0
104 4 2 1 29.742 59.483 0.277 5.89 4 42.5 15.3
105 1 4 2 29.864 59.728 0.278 5.83 4 89.9 67.9
106 1 6 1 29.909 59.819 0.279 5.81 4 11.1 1.0
107 4 1 -2 30.039 60.078 0.28 5.76 4 98.7 80.8
108 4 4 0 30.049 60.099 0.28 5.75 4 8.9 0.7
109 2 3 2 30.24 60.48 0.282 5.67 4 2.5 0.1
110 5 0 0 30.303 60.605 0.282 5.65 2 115.6 54.3
111 5 0 -1 30.316 60.632 0.282 5.64 2 50.9 10.5
112 4 4 -1 30.509 61.018 0.284 5.56 4 78.4 49.2
113 2 6 -1 30.582 61.164 0.284 5.53 4 14.1 1.6
114 5 1 0 30.662 61.325 0.285 5.5 4 74.1 43.5
115 5 1 -1 30.676 61.351 0.285 5.49 4 14.0 1.5
116 4 2 -2 31.116 62.232 0.289 5.32 4 68.5 36.0
117 3 0 2 31.224 62.448 0.29 5.28 2 76.1 22.0
118 1 5 -2 31.321 62.642 0.291 5.25 4 42.2 13.4
119 4 3 1 31.535 63.069 0.292 5.17 4 26.4 5.2
120 0 5 2 31.538 63.076 0.292 5.17 4 3.4 0.1
121 3 1 2 31.578 63.155 0.293 5.15 4 50.7 19.1
122 3 4 -2 31.64 63.28 0.293 5.13 4 40.7 12.2
123 5 2 0 31.727 63.454 0.294 5.1 4 19.0 2.6
124 5 2 -1 31.74 63.48 0.294 5.1 4 46.8 16.1
125 1 7 0 31.891 63.781 0.295 5.04 4 10.9 0.9
126 3 5 1 32.158 64.315 0.298 4.95 4 120.4 103.3
127 2 6 1 32.327 64.654 0.299 4.9 4 15.2 1.6
128 2 5 -2 32.407 64.813 0.3 4.87 4 95.6 64.0
129 3 6 0 32.534 65.067 0.301 4.83 4 32.5 7.3
130 3 2 2 32.625 65.251 0.301 4.8 4 99.9 68.9
131 2 4 2 32.712 65.425 0.302 4.77 4 38.0 9.9
132 4 3 -2 32.866 65.732 0.303 4.73 4 13.0 1.2
133 1 0 -3 33.007 66.014 0.305 4.68 2 41.6 5.8
134 1 5 2 33.044 66.089 0.305 4.67 4 43.9 13.0
135 4 5 0 33.22 66.439 0.306 4.62 4 6.4 0.3
136 1 1 -3 33.35 66.7 0.307 4.58 4 64.9 27.8
137 3 6 -1 33.397 66.794 0.308 4.57 4 86.9 49.6
138 0 7 1 33.399 66.798 0.308 4.57 4 102.8 69.5
139 5 3 0 33.459 66.919 0.308 4.55 4 68.1 30.4
140 5 3 -1 33.472 66.944 0.308 4.55 4 8.1 0.4
141 1 7 -1 33.611 67.222 0.309 4.51 4 10.5 0.7
142 0 0 3 33.64 67.281 0.31 4.5 2 0.0 0.0
143 2 0 -3 33.644 67.288 0.31 4.5 2 67.6 14.8
144 4 5 -1 33.655 67.309 0.31 4.49 4 47.3 14.5
145 2 7 0 33.811 67.623 0.311 4.45 4 27.2 4.7
146 4 4 1 33.955 67.909 0.312 4.41 4 125.9 100.6
147 0 1 3 33.981 67.961 0.312 4.4 4 22.7 3.3
148 2 1 -3 33.984 67.968 0.312 4.4 4 10.7 0.7
149 3 3 2 34.334 68.668 0.315 4.31 4 18.5 2.1
150 1 2 -3 34.37 68.739 0.316 4.3 4 20.3 2.6
151 1 7 1 34.448 68.897 0.316 4.28 4 20.0 2.5
152 5 0 1 34.608 69.217 0.317 4.24 2 190.2 110.4
153 5 0 -2 34.646 69.292 0.318 4.23 2 26.8 2.2
154 3 5 -2 34.73 69.461 0.318 4.21 4 52.6 16.8
155 5 1 1 34.944 69.888 0.32 4.16 4 3.8 0.1
156 5 1 -2 34.981 69.963 0.32 4.15 4 44.5 11.8
157 0 2 3 34.991 69.982 0.321 4.15 4 29.7 5.3
158 2 2 -3 34.995 69.99 0.321 4.15 4 73.1 31.9
159 2 7 -1 35.073 70.146 0.321 4.13 4 22.6 3.0
160 1 6 -2 35.098 70.195 0.321 4.12 4 108.8 70.2
161 4 4 -2 35.239 70.477 0.323 4.09 4 54.8 17.6
162 0 6 2 35.303 70.606 0.323 4.07 4 83.5 40.9
163 1 0 3 35.512 71.024 0.325 4.03 2 22.6 1.5
164 3 0 -3 35.519 71.039 0.325 4.02 2 0.4 0.0
165 2 5 2 35.756 71.512 0.327 3.97 4 63.4 23.0
166 5 4 0 35.813 71.627 0.327 3.96 4 53.0 16.0
167 5 4 -1 35.826 71.651 0.327 3.96 4 117.7 78.9
168 1 1 3 35.844 71.688 0.327 3.95 4 49.6 14.0
169 3 1 -3 35.851 71.702 0.327 3.95 4 84.6 40.7
170 3 6 1 35.89 71.779 0.328 3.94 4 76.5 33.2
171 5 2 1 35.942 71.885 0.328 3.93 4 41.0 9.5
172 5 2 -2 35.979 71.959 0.328 3.92 4 28.2 4.5
173 1 3 -3 36.039 72.077 0.329 3.91 4 79.3 35.4
174 2 6 -2 36.126 72.252 0.33 3.89 4 17.1 1.6
175 0 8 0 36.345 72.691 0.331 3.85 2 105.2 30.7
176 4 0 2 36.485 72.97 0.332 3.82 2 90.1 22.3
177 0 3 3 36.648 73.296 0.334 3.79 4 155.3 131.4
178 2 3 -3 36.652 73.303 0.334 3.79 4 84.4 38.8
179 3 4 2 36.663 73.325 0.334 3.78 4 89.4 43.5
180 2 7 1 36.709 73.418 0.334 3.78 4 122.7 81.8
181 1 6 2 36.733 73.466 0.334 3.77 4 33.0 5.9
182 4 1 2 36.813 73.627 0.335 3.76 4 54.1 15.8
183 1 2 3 36.832 73.664 0.335 3.75 4 45.3 11.1
184 3 2 -3 36.839 73.678 0.335 3.75 4 96.2 50.0
185 6 0 -1 36.872 73.744 0.335 3.74 2 134.3 48.6
186 4 6 0 36.9 73.8 0.336 3.74 4 11.2 0.7
187 3 7 0 36.904 73.807 0.336 3.74 4 143.9 111.4
188 4 5 1 36.951 73.901 0.336 3.73 4 5.5 0.2
189 1 8 0 36.955 73.909 0.336 3.73 4 38.4 7.9
190 6 1 -1 37.199 74.398 0.338 3.68 4 37.5 7.4
191 6 0 0 37.263 74.527 0.338 3.67 2 42.3 4.7
192 4 6 -1 37.316 74.632 0.339 3.66 4 34.8 6.4
193 5 3 1 37.582 75.164 0.341 3.61 4 49.0 12.5
194 6 1 0 37.589 75.178 0.341 3.61 4 73.2 27.9
195 5 3 -2 37.618 75.237 0.341 3.61 4 166.9 144.7
196 3 7 -1 37.722 75.443 0.342 3.59 4 115.9 69.4
197 4 2 2 37.792 75.584 0.343 3.58 4 2.5 0.0
198 6 2 -1 38.174 76.348 0.345 3.52 4 27.1 3.7
199 4 5 -2 38.193 76.385 0.346 3.51 4 6.2 0.2
200 1 4 -3 38.325 76.65 0.347 3.49 4 21.8 2.4
201 3 6 -2 38.348 76.696 0.347 3.49 4 62.9 19.8
202 0 8 1 38.371 76.742 0.347 3.48 4 3.5 0.1
203 1 3 3 38.458 76.916 0.348 3.47 4 36.8 6.8
204 3 3 -3 38.465 76.93 0.348 3.47 4 32.2 5.2
205 2 0 3 38.546 77.091 0.348 3.46 2 87.7 19.1
206 4 0 -3 38.556 77.113 0.348 3.46 2 38.2 3.6
207 6 2 0 38.561 77.122 0.348 3.45 4 5.5 0.2
208 1 8 -1 38.571 77.143 0.349 3.45 4 46.7 10.8
209 5 5 0 38.751 77.501 0.35 3.43 4 52.7 13.7
210 2 8 0 38.761 77.522 0.35 3.42 4 45.3 10.1
211 5 5 -1 38.763 77.525 0.35 3.42 4 9.0 0.4
212 2 1 3 38.868 77.736 0.351 3.41 4 100.9 49.9
213 4 1 -3 38.878 77.757 0.351 3.41 4 31.2 4.8
214 0 4 3 38.921 77.843 0.351 3.4 4 89.1 38.9
215 2 4 -3 38.925 77.85 0.351 3.4 4 7.0 0.2
216 2 6 2 39.338 78.676 0.354 3.34 4 70.2 23.7
217 1 7 -2 39.345 78.69 0.354 3.34 4 30.1 4.3
218 1 8 1 39.366 78.732 0.355 3.34 4 69.6 23.3
219 4 3 2 39.404 78.809 0.355 3.33 4 89.5 38.4
220 0 7 2 39.542 79.084 0.356 3.31 4 20.5 2.0
221 3 5 2 39.578 79.155 0.356 3.31 4 13.9 0.9
222 6 3 -1 39.782 79.563 0.358 3.28 4 44.5 9.4
223 2 2 3 39.83 79.66 0.358 3.28 4 13.6 0.9
224 5 4 1 39.838 79.676 0.358 3.28 4 63.3 18.9
225 4 2 -3 39.84 79.681 0.358 3.27 4 30.9 4.5
226 5 4 -2 39.874 79.747 0.358 3.27 4 79.1 29.5
227 2 8 -1 39.961 79.923 0.359 3.26 4 76.8 27.7
228 3 7 1 40.106 80.213 0.36 3.24 4 5.5 0.1
229 6 3 0 40.164 80.328 0.361 3.23 4 48.8 11.1
230 2 7 -2 40.334 80.669 0.362 3.21 4 1.7 0.0
231 6 0 -2 40.493 80.985 0.363 3.2 2 37.9 3.3
232 4 6 1 40.496 80.993 0.363 3.19 4 11.7 0.6
233 1 4 3 40.699 81.399 0.365 3.17 4 15.8 1.1
234 3 4 -3 40.706 81.413 0.365 3.17 4 107.6 52.9
235 6 1 -2 40.811 81.621 0.365 3.16 4 83.6 31.7
236 1 7 2 40.921 81.843 0.366 3.15 4 62.7 17.8
237 4 7 0 41.083 82.166 0.367 3.13 4 60.6 16.5
238 1 5 -3 41.204 82.408 0.368 3.12 4 31.4 4.4
239 2 3 3 41.421 82.842 0.37 3.09 4 8.9 0.4
240 4 3 -3 41.431 82.862 0.37 3.09 4 26.7 3.2
241 4 7 -1 41.487 82.973 0.37 3.09 4 36.1 5.8
242 2 8 1 41.532 83.065 0.371 3.08 4 94.4 39.6
243 4 4 2 41.633 83.267 0.371 3.07 4 44.4 8.7
244 6 0 1 41.634 83.267 0.371 3.07 2 40.5 3.6
245 4 6 -2 41.708 83.416 0.372 3.07 4 29.6 3.9
246 3 8 0 41.721 83.441 0.372 3.06 4 97.6 42.0
247 6 2 -2 41.762 83.524 0.372 3.06 4 18.4 1.5
248 0 5 3 41.79 83.58 0.373 3.06 4 52.6 12.2
249 2 5 -3 41.794 83.587 0.373 3.06 4 34.2 5.1
250 6 1 1 41.95 83.9 0.374 3.04 4 35.9 5.6
251 6 4 -1 42.006 84.012 0.374 3.04 4 24.2 2.6
252 5 6 0 42.255 84.509 0.376 3.02 4 57.7 14.4
253 5 6 -1 42.266 84.533 0.376 3.01 4 73.0 23.1
254 6 4 0 42.385 84.769 0.377 3.0 4 26.6 3.1
255 1 9 0 42.402 84.804 0.377 3.0 4 8.7 0.3
256 3 7 -2 42.492 84.985 0.378 2.99 4 60.5 15.8
257 3 8 -1 42.513 85.026 0.378 2.99 4 45.4 8.9
258 5 0 2 42.635 85.271 0.379 2.98 2 82.0 14.4
259 3 0 3 42.68 85.36 0.379 2.98 2 17.1 0.6
260 5 5 1 42.693 85.387 0.379 2.98 4 4.5 0.1
261 5 0 -3 42.694 85.388 0.379 2.98 2 33.4 2.4
262 5 5 -2 42.729 85.457 0.379 2.98 4 27.7 3.3
263 6 2 1 42.897 85.794 0.381 2.96 4 72.3 22.3
264 5 1 2 42.951 85.901 0.381 2.96 4 76.4 24.9
265 3 1 3 42.996 85.991 0.381 2.95 4 34.6 5.1
266 5 1 -3 43.009 86.019 0.381 2.95 4 32.1 4.4
267 3 6 2 43.067 86.135 0.382 2.95 4 14.7 0.9
268 6 3 -2 43.34 86.681 0.384 2.93 4 51.4 11.1
269 2 7 2 43.462 86.923 0.385 2.92 4 46.0 8.9
270 1 5 3 43.545 87.09 0.385 2.91 4 79.1 26.3
271 3 5 -3 43.552 87.104 0.385 2.91 4 60.1 15.1
272 2 4 3 43.631 87.261 0.386 2.91 4 26.9 3.0
273 4 4 -3 43.641 87.282 0.386 2.91 4 46.4 9.0
274 0 9 1 43.775 87.551 0.387 2.9 4 62.4 16.3
275 5 2 2 43.895 87.791 0.388 2.89 4 4.8 0.1
276 3 2 3 43.94 87.881 0.388 2.89 4 17.3 1.2
277 5 2 -3 43.954 87.908 0.388 2.89 4 62.0 16.0
278 1 9 -1 43.971 87.941 0.388 2.89 4 50.0 10.4
279 1 8 -2 44.098 88.196 0.389 2.88 4 56.1 13.0
280 2 9 0 44.156 88.312 0.389 2.87 4 68.3 19.3
281 7 0 -1 44.177 88.354 0.39 2.87 2 21.7 1.0
282 0 8 2 44.291 88.583 0.39 2.87 4 56.5 13.2
283 4 5 2 44.471 88.942 0.392 2.86 4 36.5 5.5
284 6 3 1 44.471 88.943 0.392 2.86 4 60.5 15.0
285 7 1 -1 44.492 88.983 0.392 2.86 4 38.1 6.0
286 4 7 1 44.603 89.206 0.393 2.85 4 5.2 0.1
287 1 6 -3 44.674 89.348 0.393 2.85 4 44.6 8.1
288 1 9 1 44.748 89.495 0.394 2.84 4 47.6 9.3
289 6 5 -1 44.842 89.683 0.394 2.84 4 9.4 0.4
290 3 8 1 44.847 89.693 0.394 2.84 4 0.2 0.0
291 7 0 0 44.942 89.885 0.395 2.83 2 6.0 0.1
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 5.792 11.584 8.86363 215.4 17.0 17.3 5.6
2 1 1 0 7.192 14.383 7.14503 30.3 2.4 2.4 5.6
3 0 2 0 8.52 17.041 6.037 115.5 9.1 9.3 5.6
4 1 2 0 10.327 20.654 4.98961 402.3 31.8 32.2 5.6
5 0 0 1 10.641 21.283 4.84383 34.6 2.7 2.8 5.6
6 1 0 -1 11.166 22.333 4.61874 213.3 16.9 17.0 5.6
7 0 1 1 11.476 22.953 4.49555 785.5 62.2 62.7 5.6
8 2 0 0 11.644 23.288 4.43182 20.0 1.6 1.6 5.6
9 1 1 -1 11.967 23.934 4.31388 69.0 5.5 5.5 5.6
10 2 1 0 12.415 24.83 4.16041 76.7 6.1 6.1 5.6
11 1 0 1 13.06 26.12 3.95834 18.0 1.4 1.4 5.6
12 0 2 1 13.695 27.39 3.77805 18.4 1.5 1.5 5.6
13 1 3 0 14.128 28.255 3.66458 137.0 10.8 10.9 5.6
14 2 0 -1 14.332 28.664 3.61342 37.8 3.0 3.0 5.6
15 2 2 0 14.5 28.999 3.57252 254.2 20.1 20.2 5.6
16 2 1 -1 14.974 29.949 3.46172 86.1 6.8 6.8 5.6
17 1 2 1 15.677 31.354 3.31023 114.4 9.0 9.1 5.6
18 0 3 1 16.795 33.59 3.09556 1263.7 100.0 100.0 5.7
19 1 3 -1 17.144 34.289 3.03431 518.2 41.0 41.0 5.7
20 2 3 0 17.47 34.941 2.97944 248.1 19.6 19.6 5.7
21 2 1 1 17.842 35.685 2.91928 583.2 46.1 46.1 5.7
22 3 1 0 18.16 36.32 2.86987 295.9 23.4 23.4 5.7
23 1 4 0 18.242 36.485 2.85736 257.1 20.3 20.3 5.7
24 1 3 1 18.478 36.957 2.82213 445.4 35.2 35.1 5.7
25 3 0 -1 18.946 37.892 2.75494 45.5 3.6 3.6 5.7
26 2 2 1 19.401 38.802 2.6927 336.8 26.7 26.5 5.7
27 3 1 -1 19.452 38.904 2.68591 455.3 36.0 35.9 5.7
28 3 2 0 19.697 39.395 2.65377 415.8 32.9 32.7 5.7
29 1 4 -1 20.732 41.464 2.52675 32.6 2.6 2.6 5.7
30 3 2 -1 20.909 41.818 2.5063 72.2 5.7 5.7 5.7
31 2 4 0 21.01 42.02 2.4948 17.6 1.4 1.4 5.7
32 1 0 -2 21.391 42.781 2.45244 242.8 19.2 19.0 5.7
33 0 0 2 21.674 43.347 2.42191 195.6 15.5 15.3 5.7
34 2 3 1 21.789 43.578 2.40969 12.9 1.0 1.0 5.7
35 1 4 1 21.879 43.759 2.40024 24.7 2.0 1.9 5.7
36 3 3 0 22.059 44.118 2.38168 91.2 7.2 7.1 5.7
37 3 0 1 22.471 44.942 2.3402 39.7 3.1 3.1 5.7
38 1 5 0 22.576 45.152 2.32988 16.4 1.3 1.3 5.7
39 2 4 -1 22.713 45.426 2.31657 129.3 10.2 10.1 5.7
40 2 0 -2 22.788 45.575 2.30937 33.1 2.6 2.6 5.7
41 3 1 1 22.913 45.825 2.29745 21.4 1.7 1.7 5.7
42 1 2 -2 23.183 46.366 2.27212 32.3 2.6 2.5 5.7
43 2 1 -2 23.225 46.449 2.26825 123.2 9.7 9.6 5.7
44 0 2 2 23.449 46.898 2.24778 43.0 3.4 3.4 5.7
45 1 1 2 24.015 48.03 2.19784 16.6 1.3 1.3 5.7
46 4 1 0 24.23 48.459 2.17951 102.7 8.1 8.0 5.7
47 0 5 1 24.449 48.898 2.16113 51.2 4.1 4.0 5.7
48 2 2 -2 24.5 49.0 2.15694 24.5 1.9 1.9 5.7
49 1 5 -1 24.707 49.414 2.13997 285.0 22.6 22.2 5.7
50 2 4 1 24.82 49.639 2.13087 12.7 1.0 1.0 5.7
51 2 5 0 24.95 49.9 2.12046 57.7 4.6 4.5 5.7
52 3 4 0 25.064 50.128 2.11143 59.2 4.7 4.6 5.7
53 1 2 2 25.26 50.519 2.09612 141.4 11.2 11.0 5.8
54 4 2 0 25.467 50.933 2.0802 20.6 1.6 1.6 5.8
55 3 0 -2 25.65 51.299 2.06636 59.3 4.7 4.6 5.8
56 1 5 1 25.715 51.43 2.06147 54.0 4.3 4.2 5.8
57 4 2 -1 25.978 51.957 2.042 114.8 9.1 8.9 5.8
58 3 4 -1 26.077 52.153 2.03485 132.9 10.5 10.3 5.8
59 3 3 1 26.24 52.48 2.02306 38.8 3.1 3.0 5.8
60 0 6 0 26.391 52.781 2.01233 275.9 21.8 21.4 5.8
61 2 5 -1 26.456 52.912 2.00773 29.4 2.3 2.3 5.8
62 2 3 -2 26.523 53.045 2.00304 58.6 4.6 4.5 5.8
63 2 0 2 26.868 53.736 1.97917 108.0 8.5 8.4 5.8
64 1 6 0 27.116 54.233 1.96239 17.0 1.3 1.3 5.8
65 2 1 2 27.256 54.512 1.9531 167.8 13.3 13.0 5.8
66 4 3 0 27.438 54.876 1.94114 38.0 3.0 2.9 5.8
67 4 3 -1 27.925 55.849 1.90998 72.0 5.7 5.6 5.8
68 2 5 1 28.357 56.714 1.88321 46.8 3.7 3.6 5.8
69 2 2 2 28.399 56.797 1.88068 81.8 6.5 6.3 5.8
70 3 5 0 28.58 57.16 1.86974 20.4 1.6 1.6 5.8
71 3 4 1 28.923 57.845 1.84947 36.2 2.9 2.8 5.8
72 1 6 -1 29.002 58.005 1.84484 46.6 3.7 3.6 5.8
73 2 4 -2 29.188 58.375 1.83414 59.5 4.7 4.6 5.8
74 3 5 -1 29.509 59.018 1.81594 48.9 3.9 3.8 5.8
75 4 0 -2 29.675 59.35 1.80671 39.0 3.1 3.0 5.8
76 4 2 1 29.742 59.483 1.80302 15.3 1.2 1.2 5.8
77 1 4 2 29.864 59.728 1.79631 67.9 5.4 5.2 5.8
78 4 1 -2 30.039 60.078 1.78681 81.4 6.4 6.3 5.8
79 5 0 0 30.303 60.605 1.77273 64.8 5.1 5.0 5.8
80 4 4 -1 30.509 61.018 1.76189 49.2 3.9 3.8 5.8
81 5 1 0 30.662 61.325 1.75392 45.0 3.6 3.4 5.8
82 4 2 -2 31.116 62.232 1.73086 36.0 2.8 2.8 5.8
83 3 0 2 31.224 62.448 1.72547 22.0 1.7 1.7 5.8
84 1 5 -2 31.321 62.642 1.72067 13.4 1.1 1.0 5.8
85 3 1 2 31.578 63.155 1.70812 19.1 1.5 1.5 5.9
86 5 2 -1 31.74 63.48 1.70028 18.7 1.5 1.4 5.9
87 3 5 1 32.158 64.315 1.68053 103.3 8.2 7.9 5.9
88 2 5 -2 32.407 64.813 1.669 64.0 5.1 4.9 5.9
89 3 2 2 32.625 65.251 1.65904 68.9 5.5 5.2 5.9
90 1 5 2 33.044 66.089 1.64034 13.0 1.0 1.0 5.9
91 1 1 -3 33.35 66.7 1.62702 27.8 2.2 2.1 5.9
92 0 7 1 33.399 66.798 1.62491 119.1 9.4 9.0 5.9
93 5 3 0 33.459 66.919 1.62232 30.8 2.4 2.3 5.9
94 2 0 -3 33.644 67.288 1.61445 29.3 2.3 2.2 5.9
95 4 4 1 33.955 67.909 1.60144 103.9 8.2 7.9 5.9
96 5 0 1 34.608 69.217 1.57485 110.4 8.7 8.3 5.9
97 3 5 -2 34.73 69.461 1.57001 16.8 1.3 1.3 5.9
98 2 2 -3 34.995 69.99 1.55964 49.0 3.9 3.7 5.9
99 1 6 -2 35.098 70.195 1.55566 73.2 5.8 5.5 5.9
100 4 4 -2 35.239 70.477 1.55023 17.6 1.4 1.3 5.9
101 0 6 2 35.303 70.606 1.54778 40.9 3.2 3.1 5.9
102 2 5 2 35.756 71.512 1.53073 23.0 1.8 1.7 5.9
103 5 4 -1 35.826 71.651 1.52815 149.6 11.8 11.3 5.9
104 3 6 1 35.89 71.779 1.5258 33.2 2.6 2.5 5.9
105 1 3 -3 36.039 72.077 1.52034 35.4 2.8 2.7 5.9
106 0 8 0 36.345 72.691 1.50925 30.7 2.4 2.3 6.0
107 4 0 2 36.485 72.97 1.50427 22.3 1.8 1.7 6.0
108 0 3 3 36.648 73.296 1.49852 213.8 16.9 16.0 6.0
109 2 7 1 36.709 73.418 1.49637 87.7 6.9 6.6 6.0
110 3 2 -3 36.839 73.678 1.49183 76.9 6.1 5.8 6.0
111 6 0 -1 36.872 73.744 1.4907 49.3 3.9 3.7 6.0
112 3 7 0 36.904 73.807 1.48959 111.4 8.8 8.4 6.0
113 5 3 -2 37.618 75.237 1.46537 185.1 14.6 13.8 6.0
114 3 7 -1 37.722 75.443 1.46195 69.4 5.5 5.2 6.0
115 3 6 -2 38.348 76.696 1.44166 22.2 1.8 1.7 6.0
116 2 0 3 38.546 77.091 1.43541 33.7 2.7 2.5 6.0
117 5 5 0 38.751 77.501 1.42901 24.2 1.9 1.8 6.0
118 2 1 3 38.868 77.736 1.42537 54.7 4.3 4.1 6.0
119 0 4 3 38.921 77.843 1.42373 39.1 3.1 2.9 6.0
120 2 6 2 39.338 78.676 1.41106 51.3 4.1 3.8 6.0
121 4 3 2 39.404 78.809 1.40906 38.4 3.0 2.9 6.0
122 5 4 1 39.838 79.676 1.39625 23.4 1.9 1.7 6.0
123 5 4 -2 39.874 79.747 1.3952 29.5 2.3 2.2 6.0
124 2 8 -1 39.961 79.923 1.39265 27.7 2.2 2.0 6.0
125 3 4 -3 40.706 81.413 1.37149 54.0 4.3 4.0 6.1
126 6 1 -2 40.811 81.621 1.36859 31.7 2.5 2.3 6.1
127 1 7 2 40.921 81.843 1.36554 17.8 1.4 1.3 6.1
128 4 7 0 41.083 82.166 1.36111 16.5 1.3 1.2 6.1
129 2 8 1 41.532 83.065 1.34902 39.6 3.1 2.9 6.1
130 3 8 0 41.721 83.441 1.34405 45.9 3.6 3.4 6.1
131 0 5 3 41.79 83.58 1.34222 18.8 1.5 1.4 6.1
132 5 6 -1 42.266 84.533 1.3299 37.5 3.0 2.7 6.1
133 3 7 -2 42.492 84.985 1.32416 24.7 2.0 1.8 6.1
134 5 0 2 42.635 85.271 1.32057 14.4 1.1 1.1 6.1
135 6 2 1 42.897 85.794 1.31406 22.3 1.8 1.6 6.1
136 5 1 2 42.951 85.901 1.31274 24.9 2.0 1.8 6.1
137 1 5 3 43.545 87.09 1.29834 41.4 3.3 3.0 6.1
138 0 9 1 43.775 87.551 1.29288 16.3 1.3 1.2 6.2
139 1 9 -1 43.971 87.941 1.28831 27.6 2.2 2.0 6.2
140 1 8 -2 44.098 88.196 1.28535 13.0 1.0 0.9 6.2
141 2 9 0 44.156 88.312 1.28402 20.3 1.6 1.5 6.2
142 0 8 2 44.291 88.583 1.2809 13.2 1.0 1.0 6.2
143 7 1 -1 44.492 88.983 1.27633 26.5 2.1 1.9 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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