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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HINGGANITE_Y
4, t-datolite, s-gadolinite
(Y,Ca)(2)(Be,B)(2)Fe(0.3)[SiO(4)](2)(O,OH)(2)
Monoclinic P 2(1)/c Z = 2
R =0.039 NR =611
19 .6 .1903
Ref.Str.:
F. Demartin, A. Minaglia, C.M. Gramaccioli (2001)
* Canad. Mineral., 39, 1105-1114
Reserv:
The sample from Cuasso al Monte, Italy. D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.739 alpha = 90.0
b = 7.607 beta = 90.45
c = 9.898 gamma = 90.0
Unit cell volume (cub. angs.) = 356.81
Molar volume ( cub.cm/mol.) = 107.46
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0002 0.1085 0.3324 1.12 Y = 0.85, Ca = 0.15
2 0.0 0.0 0.0 1.73 Fe = 0.3 , Fe = 0.0
3 0.5182 0.2757 0.0796 1.19 Si = 1.00
4 0.76 0.4111 0.0337 1.47 O = 1.00
5 0.325 0.2875 0.4526 1.48 O = 1.00
6 0.303 0.346 0.1952 1.48 O = 1.00
7 0.684 0.1075 0.1457 1.77 O = 1.00
8 0.788 0.4118 0.3317 1.52 O = 0.3 , OH = 0.7
9 0.449 0.413 0.3362 0.9 Be = 0.85, B = 0.15
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0002 0.1085 0.3324
2 2 0.0 0.0 0.0
3 3 0.5182 0.2757 0.0796
4 4 0.76 0.4111 0.0337
5 5 0.325 0.2875 0.4526
6 6 0.303 0.346 0.1952
7 7 0.684 0.1075 0.1457
8 8 0.788 0.4118 0.3317
9 9 0.449 0.413 0.3362
10 1 0.9998 0.6085 0.1676
11 2 0.0 0.5 0.5
12 3 0.4818 0.7757 0.4204
13 4 0.24 0.9111 0.4663
14 5 0.675 0.7875 0.0474
15 6 0.697 0.846 0.3048
16 7 0.316 0.6075 0.3543
17 8 0.212 0.9118 0.1683
18 9 0.551 0.913 0.1638
19 1 0.0002 0.3915 0.8324
20 3 0.5182 0.2243 0.5796
21 4 0.76 0.0889 0.5337
22 5 0.325 0.2125 0.9526
23 6 0.303 0.154 0.6952
24 7 0.684 0.3925 0.6457
25 8 0.788 0.0882 0.8317
26 9 0.449 0.087 0.8362
27 1 0.9998 0.8915 0.6676
28 3 0.4818 0.7243 0.9204
29 4 0.24 0.5889 0.9663
30 5 0.675 0.7125 0.5474
31 6 0.697 0.654 0.8048
32 7 0.316 0.8925 0.8543
33 8 0.212 0.5882 0.6683
34 9 0.551 0.587 0.6638
X-ray density (g/cm cub.) = 3.87
MU (1/cm) = 303.816 Mass attenuation coefficient (cm**2/g) = 78.48
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Y ,Ca 2.928 8
2.3686 5
2.6829 6
2.37 7
2.5168 8
2.2976 4
2.4739 6
2.4311 8
2.3073 4
2 Fe ,Fe 2.64 6
2.2416 7
2.284 5
2.0514 8
2.284 5
2.0514 8
2.2416 7
3 Si 2.148 4
1.6089 4
1.629 6
1.6354 7
1.6222 5
4 O 3.312 11
3.059 6
2.7469 6
2.5882 7
2.9516 8
2.8948 5
3.1827 5
2.674 5
3.1706 8
2.7336 4
2.8847 4
2.937 6
5 O 3.312 10
2.5876 6
2.6799 8
2.9588 8
2.8948 4
2.6217 7
2.674 4
3.1827 4
2.61 6
2.671 7
3.1773 8
6 O 3.312 9
2.7469 4
3.059 4
2.5876 5
2.6087 7
2.7037 8
2.8433 8
2.5376 7
2.61 5
2.937 4
7 O 3.312 9
2.5882 4
2.6087 6
2.9961 8
2.6217 5
2.5376 6
2.9186 8
2.6977 8
2.671 5
3.154 8
8 O ,OH 3.36 12
2.9516 4
2.9588 5
2.6799 5
2.8433 6
2.7037 6
2.9961 7
3.3413 6
2.9186 7
2.6977 7
3.1706 4
3.154 7
3.1773 5
9 Be ,B 2.088 4
1.6108 5
1.6343 6
1.6075 8
1.6187 7
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 1 1 7.337 14.675 0.083 119.67 4 35.3 469.5
2 0 0 2 8.954 17.909 0.101 79.62 2 26.0 84.7
3 1 0 0 9.355 18.709 0.106 72.77 2 55.3 349.2
4 0 1 2 10.701 21.402 0.121 55.1 4 24.3 101.9
5 1 1 0 11.041 22.081 0.124 51.64 4 2.3 0.8
6 0 2 0 11.684 23.369 0.131 45.88 2 4.2 1.2
7 1 1 -1 11.902 23.803 0.134 44.14 4 45.3 284.2
8 1 1 1 11.958 23.916 0.134 43.71 4 28.9 114.9
9 0 2 1 12.53 25.061 0.141 39.62 4 55.2 379.4
10 1 0 -2 12.954 25.908 0.146 36.94 2 85.4 423.7
11 1 0 2 13.058 26.115 0.147 36.32 2 52.7 158.3
12 1 1 -2 14.239 28.479 0.16 30.23 4 96.8 889.9
13 1 1 2 14.335 28.669 0.161 29.8 4 101.1 956.8
14 0 1 3 14.743 29.486 0.165 28.06 4 52.7 244.6
15 0 2 2 14.799 29.597 0.166 27.84 4 32.0 89.5
16 1 2 0 15.051 30.102 0.169 26.85 4 82.7 577.5
17 1 2 -1 15.708 31.415 0.176 24.5 4 101.6 794.7
18 1 2 1 15.751 31.502 0.176 24.35 4 106.6 868.8
19 1 1 -3 17.516 35.033 0.195 19.34 4 105.3 673.0
20 1 2 -2 17.584 35.167 0.196 19.18 4 33.1 66.2
21 1 1 3 17.635 35.27 0.197 19.05 4 90.1 485.7
22 1 2 2 17.663 35.325 0.197 18.99 4 18.3 20.0
23 0 2 3 18.003 36.006 0.201 18.21 4 14.4 11.9
24 0 0 4 18.137 36.275 0.202 17.92 2 62.9 111.3
25 0 3 1 18.276 36.551 0.204 17.62 4 39.0 84.3
26 2 0 0 18.971 37.942 0.211 16.23 2 76.8 150.4
27 0 1 4 19.108 38.216 0.212 15.97 4 70.5 249.7
28 2 1 0 19.907 39.814 0.221 14.59 4 16.9 13.1
29 0 3 2 19.958 39.916 0.222 14.5 4 92.5 390.1
30 1 3 0 20.153 40.306 0.224 14.19 4 57.0 145.0
31 1 2 -3 20.386 40.773 0.226 13.83 4 57.9 145.7
32 2 1 -1 20.408 40.817 0.226 13.8 4 2.1 0.2
33 2 1 1 20.478 40.956 0.227 13.7 4 54.3 126.8
34 1 0 -4 20.49 40.98 0.227 13.68 2 77.0 127.3
35 1 2 3 20.491 40.982 0.227 13.68 4 70.6 214.1
36 1 0 4 20.629 41.257 0.229 13.47 2 38.7 31.6
37 1 3 -1 20.667 41.333 0.229 13.42 4 47.0 93.2
38 1 3 1 20.701 41.402 0.229 13.37 4 0.7 0.0
39 2 0 -2 21.059 42.118 0.233 12.87 2 2.7 0.1
40 2 0 2 21.194 42.389 0.235 12.68 2 59.7 70.9
41 1 1 -4 21.37 42.741 0.237 12.45 4 21.6 18.2
42 1 1 4 21.504 43.009 0.238 12.28 4 54.7 115.5
43 0 2 4 21.8 43.601 0.241 11.9 4 2.4 0.2
44 2 1 -2 21.921 43.841 0.242 11.76 4 33.2 40.8
45 2 1 2 22.052 44.104 0.244 11.6 4 34.1 42.5
46 1 3 -2 22.181 44.362 0.245 11.45 4 41.0 60.6
47 1 3 2 22.246 44.492 0.246 11.37 4 73.1 190.8
48 2 2 0 22.52 45.041 0.249 11.06 4 2.5 0.2
49 0 3 3 22.528 45.056 0.249 11.06 4 45.2 71.1
50 2 2 -1 22.975 45.95 0.253 10.58 4 93.2 288.6
51 2 2 1 23.038 46.077 0.254 10.51 4 91.1 273.8
52 0 1 5 23.708 47.417 0.261 9.85 4 32.9 33.6
53 1 2 -4 23.854 47.708 0.263 9.71 4 3.8 0.5
54 0 4 0 23.893 47.787 0.263 9.68 2 93.0 131.4
55 1 2 4 23.977 47.954 0.264 9.6 4 19.6 11.6
56 2 1 -3 24.293 48.586 0.267 9.32 4 103.0 310.5
57 0 4 1 24.359 48.717 0.268 9.26 4 42.8 53.3
58 2 2 -2 24.36 48.72 0.268 9.26 4 21.0 12.8
59 2 1 3 24.475 48.95 0.269 9.16 4 96.7 269.2
60 2 2 2 24.481 48.962 0.269 9.16 4 13.7 5.4
61 1 3 -3 24.549 49.098 0.27 9.1 4 30.3 26.2
62 1 3 3 24.639 49.278 0.271 9.02 4 29.2 24.2
63 1 1 -5 25.629 51.258 0.281 8.25 4 18.6 9.0
64 0 4 2 25.716 51.432 0.282 8.19 4 82.4 174.8
65 1 1 5 25.775 51.55 0.282 8.14 4 41.5 44.0
66 0 3 4 25.782 51.565 0.282 8.14 4 76.4 149.4
67 1 4 0 25.877 51.753 0.283 8.07 4 93.1 219.8
68 0 2 5 26.019 52.038 0.285 7.97 4 95.4 228.0
69 1 4 -1 26.302 52.603 0.288 7.78 4 23.1 13.0
70 1 4 1 26.33 52.661 0.288 7.76 4 11.3 3.1
71 2 3 0 26.419 52.838 0.289 7.7 4 1.9 0.1
72 2 2 -3 26.566 53.132 0.29 7.6 4 0.4 0.0
73 2 0 -4 26.637 53.273 0.291 7.56 2 39.6 18.6
74 2 2 3 26.737 53.473 0.292 7.49 4 19.6 9.0
75 2 3 -1 26.824 53.648 0.293 7.44 4 29.8 20.8
76 2 0 4 26.863 53.726 0.293 7.41 2 61.0 43.4
77 2 3 1 26.88 53.761 0.293 7.4 4 57.3 76.5
78 2 1 -4 27.363 54.726 0.298 7.11 4 97.6 212.9
79 1 4 -2 27.576 55.153 0.3 6.98 4 23.0 11.6
80 2 1 4 27.585 55.171 0.301 6.98 4 72.9 116.7
81 1 3 -4 27.612 55.224 0.301 6.96 4 88.2 170.2
82 1 4 2 27.632 55.264 0.301 6.95 4 31.4 21.5
83 1 3 4 27.723 55.445 0.302 6.9 4 91.0 179.7
84 1 2 -5 27.824 55.647 0.303 6.84 4 50.6 55.0
85 0 0 6 27.836 55.672 0.303 6.84 2 102.6 113.0
86 0 4 3 27.873 55.745 0.303 6.82 4 17.4 6.5
87 1 2 5 27.961 55.923 0.304 6.77 4 72.3 111.2
88 2 3 -2 28.069 56.137 0.305 6.71 4 107.1 241.8
89 2 3 2 28.178 56.356 0.307 6.65 4 93.7 183.3
90 0 1 6 28.542 57.083 0.31 6.46 4 0.1 0.0
91 3 0 0 29.185 58.371 0.317 6.14 2 86.0 71.3
92 2 2 -4 29.469 58.938 0.319 6.01 4 10.0 1.9
93 1 0 -6 29.552 59.105 0.32 5.97 2 108.3 110.0
94 0 3 5 29.581 59.162 0.32 5.96 4 29.3 16.1
95 1 4 -3 29.627 59.255 0.321 5.94 4 29.7 16.5
96 2 2 4 29.681 59.362 0.321 5.91 4 35.7 23.6
97 1 4 3 29.707 59.414 0.322 5.9 4 12.8 3.0
98 1 0 6 29.711 59.423 0.322 5.9 2 116.5 125.8
99 3 1 0 29.87 59.741 0.323 5.83 4 0.1 0.0
100 2 3 -3 30.085 60.17 0.325 5.74 4 22.7 9.3
101 3 1 -1 30.231 60.463 0.327 5.68 4 22.7 9.2
102 1 1 -6 30.232 60.465 0.327 5.67 4 6.0 0.6
103 2 3 3 30.242 60.484 0.327 5.67 4 22.8 9.2
104 3 1 1 30.31 60.619 0.328 5.64 4 11.1 2.2
105 1 1 6 30.389 60.778 0.328 5.61 4 8.0 1.1
106 0 2 6 30.595 61.191 0.33 5.53 4 63.3 69.5
107 3 0 -2 30.711 61.422 0.332 5.48 2 61.0 32.0
108 0 4 4 30.72 61.44 0.332 5.48 4 44.3 33.8
109 0 5 1 30.813 61.627 0.333 5.44 4 34.2 20.0
110 3 0 2 30.866 61.733 0.333 5.42 2 30.4 7.9
111 2 1 -5 31.007 62.013 0.334 5.36 4 25.7 11.2
112 1 3 -5 31.25 62.5 0.337 5.27 4 32.5 17.5
113 2 1 5 31.264 62.528 0.337 5.27 4 2.3 0.1
114 2 4 0 31.29 62.579 0.337 5.26 4 22.3 8.2
115 3 1 -2 31.376 62.752 0.338 5.23 4 54.1 48.1
116 1 3 5 31.378 62.756 0.338 5.23 4 33.5 18.4
117 3 1 2 31.529 63.059 0.339 5.17 4 55.8 50.6
118 2 4 -1 31.654 63.307 0.341 5.13 4 22.4 8.1
119 2 4 1 31.705 63.409 0.341 5.11 4 40.5 26.3
120 3 2 0 31.872 63.743 0.343 5.05 4 30.2 14.5
121 0 5 2 31.984 63.968 0.344 5.01 4 17.1 4.6
122 1 5 0 32.124 64.247 0.345 4.96 4 14.5 3.3
123 3 2 -1 32.219 64.439 0.346 4.93 4 76.2 90.0
124 1 2 -6 32.221 64.441 0.346 4.93 4 1.9 0.1
125 3 2 1 32.295 64.59 0.347 4.91 4 79.5 97.4
126 1 4 -4 32.367 64.734 0.347 4.88 4 50.9 39.8
127 1 2 6 32.372 64.744 0.348 4.88 4 8.3 1.0
128 1 4 4 32.467 64.935 0.348 4.85 4 38.7 22.8
129 1 5 -1 32.495 64.99 0.349 4.84 4 56.4 48.4
130 1 5 1 32.52 65.041 0.349 4.83 4 67.0 68.2
131 2 4 -2 32.783 65.565 0.351 4.75 4 48.1 34.6
132 2 3 -4 32.79 65.579 0.352 4.75 4 24.3 8.8
133 2 4 2 32.883 65.765 0.352 4.72 4 49.2 35.9
134 2 2 -5 32.968 65.937 0.353 4.69 4 58.6 50.6
135 2 3 4 32.989 65.979 0.353 4.69 4 27.2 10.9
136 2 2 5 33.217 66.434 0.356 4.62 4 51.5 38.5
137 3 1 -3 33.259 66.517 0.356 4.61 4 71.5 74.1
138 3 2 -2 33.326 66.651 0.357 4.59 4 12.4 2.2
139 3 2 2 33.474 66.949 0.358 4.54 4 1.7 0.0
140 3 1 3 33.482 66.963 0.358 4.54 4 80.4 92.2
141 1 5 -2 33.621 67.243 0.359 4.5 4 0.5 0.0
142 0 1 7 33.649 67.298 0.36 4.5 4 1.1 0.0
143 1 5 2 33.671 67.342 0.36 4.49 4 15.2 3.3
144 0 3 6 33.853 67.706 0.362 4.44 4 8.7 1.1
145 0 5 3 33.886 67.771 0.362 4.43 4 26.2 9.5
146 0 4 5 34.171 68.342 0.365 4.35 4 8.9 1.1
147 2 0 -6 34.532 69.064 0.368 4.26 2 36.2 8.8
148 2 4 -3 34.637 69.275 0.369 4.23 4 4.0 0.2
149 2 4 3 34.783 69.567 0.37 4.2 4 30.4 12.2
150 2 0 6 34.824 69.648 0.371 4.19 2 42.7 12.0
151 3 3 0 35.066 70.132 0.373 4.13 4 34.1 15.1
152 3 2 -3 35.154 70.309 0.374 4.11 4 38.4 19.0
153 2 1 -6 35.158 70.317 0.374 4.11 4 7.7 0.8
154 1 1 -7 35.187 70.374 0.374 4.1 4 21.5 5.9
155 3 0 -4 35.202 70.404 0.374 4.1 2 1.2 0.0
156 1 1 7 35.356 70.712 0.376 4.06 4 38.4 18.8
157 3 2 3 35.372 70.744 0.376 4.06 4 14.6 2.7
158 3 3 -1 35.398 70.796 0.376 4.05 4 0.7 0.0
159 1 3 -6 35.399 70.798 0.376 4.05 4 16.5 3.5
160 2 1 6 35.448 70.896 0.376 4.04 4 7.6 0.7
161 1 5 -3 35.467 70.934 0.377 4.04 4 78.1 77.3
162 3 3 1 35.47 70.94 0.377 4.04 4 14.6 2.7
163 3 0 4 35.492 70.984 0.377 4.03 2 34.2 7.4
164 0 2 7 35.535 71.069 0.377 4.02 4 34.2 14.8
165 1 5 3 35.539 71.078 0.377 4.02 4 65.8 54.8
166 1 3 6 35.543 71.087 0.377 4.02 4 18.1 4.1
167 1 4 -5 35.723 71.446 0.379 3.98 4 46.9 27.5
168 3 1 -4 35.823 71.647 0.38 3.96 4 6.9 0.6
169 1 4 5 35.843 71.686 0.38 3.95 4 30.6 11.6
170 3 1 4 36.111 72.222 0.383 3.9 4 5.5 0.4
171 2 3 -5 36.115 72.229 0.383 3.9 4 7.0 0.6
172 2 3 5 36.353 72.707 0.385 3.85 4 5.2 0.3
173 3 3 -2 36.458 72.915 0.386 3.83 4 24.1 7.0
174 0 5 4 36.466 72.931 0.386 3.82 4 14.5 2.5
175 3 3 2 36.6 73.201 0.387 3.8 4 7.5 0.7
176 2 5 0 36.99 73.981 0.391 3.72 4 1.9 0.0
177 2 2 -6 37.01 74.02 0.391 3.72 4 32.1 12.1
178 1 2 -7 37.038 74.076 0.391 3.71 4 71.1 59.0
179 2 4 -4 37.171 74.342 0.392 3.69 4 38.3 17.0
180 1 2 7 37.204 74.407 0.392 3.68 4 55.9 36.1
181 2 2 6 37.294 74.588 0.393 3.67 4 46.9 25.3
182 2 5 -1 37.327 74.654 0.394 3.66 4 5.0 0.3
183 2 4 4 37.36 74.72 0.394 3.65 4 15.1 2.6
184 2 5 1 37.374 74.749 0.394 3.65 4 27.1 8.4
185 0 6 0 37.413 74.826 0.394 3.64 2 72.5 30.1
186 3 2 -4 37.662 75.324 0.397 3.6 4 2.6 0.1
187 0 6 1 37.772 75.544 0.398 3.58 4 61.1 42.0
188 3 2 4 37.944 75.888 0.399 3.55 4 25.5 7.3
189 1 5 -4 37.99 75.98 0.4 3.55 4 31.9 11.3
190 1 5 4 38.084 76.168 0.4 3.53 4 36.6 14.9
191 0 4 6 38.18 76.36 0.401 3.51 4 98.2 106.4
192 3 3 -3 38.221 76.443 0.402 3.51 4 36.6 14.7
193 2 5 -2 38.378 76.756 0.403 3.48 4 40.1 17.6
194 3 3 3 38.432 76.864 0.403 3.47 4 32.6 11.6
195 2 5 2 38.472 76.943 0.404 3.47 4 33.2 12.0
196 0 0 8 38.506 77.012 0.404 3.46 2 67.1 24.5
197 0 3 7 38.59 77.18 0.405 3.45 4 2.1 0.0
198 0 6 2 38.842 77.684 0.407 3.41 4 11.2 1.3
199 1 6 0 38.971 77.942 0.408 3.39 4 18.1 3.5
200 3 1 -5 39.025 78.051 0.409 3.39 4 33.5 12.0
201 0 1 8 39.107 78.215 0.409 3.37 4 60.2 38.4
202 1 6 -1 39.314 78.627 0.411 3.35 4 50.4 26.7
203 1 6 1 39.337 78.674 0.411 3.34 4 22.7 5.4
204 3 4 0 39.339 78.679 0.411 3.34 4 76.1 60.8
205 3 1 5 39.374 78.748 0.412 3.34 4 33.1 11.5
206 3 4 -1 39.658 79.316 0.414 3.3 4 39.4 16.1
207 1 4 -6 39.659 79.318 0.414 3.3 4 42.9 19.0
208 0 5 5 39.684 79.368 0.414 3.3 4 51.8 27.8
209 3 4 1 39.728 79.455 0.415 3.29 4 27.3 7.7
210 1 4 6 39.798 79.596 0.415 3.28 4 21.2 4.7
211 2 1 -7 39.811 79.622 0.416 3.28 4 10.8 1.2
212 1 0 -8 39.958 79.916 0.417 3.26 2 27.7 3.9
213 2 3 -6 40.026 80.052 0.417 3.25 4 13.8 1.9
214 1 3 -7 40.053 80.106 0.418 3.25 4 42.1 18.1
215 2 5 -3 40.126 80.251 0.418 3.24 4 81.4 67.5
216 2 1 7 40.135 80.27 0.418 3.24 4 32.8 11.0
217 1 0 8 40.143 80.286 0.418 3.24 2 6.0 0.2
218 1 3 7 40.215 80.429 0.419 3.23 4 22.1 5.0
219 2 5 3 40.264 80.529 0.42 3.22 4 77.2 60.3
220 2 3 6 40.303 80.606 0.42 3.22 4 14.6 2.2
221 2 4 -5 40.348 80.696 0.42 3.21 4 3.2 0.1
222 1 6 -2 40.36 80.72 0.42 3.21 4 41.7 17.6
223 1 6 2 40.406 80.813 0.421 3.21 4 23.5 5.5
224 1 1 -8 40.554 81.107 0.422 3.19 4 4.3 0.2
225 4 0 0 40.555 81.111 0.422 3.19 2 106.4 56.7
226 2 4 5 40.579 81.158 0.422 3.19 4 20.2 4.1
227 0 6 3 40.607 81.215 0.422 3.18 4 28.7 8.2
228 3 3 -4 40.663 81.326 0.423 3.18 4 66.1 43.6
229 3 4 -2 40.68 81.359 0.423 3.17 4 34.0 11.5
230 1 1 8 40.738 81.476 0.424 3.17 4 23.9 5.7
231 3 2 -5 40.816 81.632 0.424 3.16 4 69.4 47.8
232 3 4 2 40.818 81.635 0.424 3.16 4 36.6 13.3
233 0 2 8 40.897 81.794 0.425 3.15 4 18.4 3.3
234 3 3 4 40.939 81.878 0.425 3.14 4 56.6 31.6
235 4 1 0 41.149 82.298 0.427 3.12 4 22.5 4.9
236 1 5 -5 41.16 82.32 0.427 3.12 4 10.9 1.2
237 3 2 5 41.161 82.322 0.427 3.12 4 63.3 39.3
238 1 5 5 41.275 82.55 0.428 3.11 4 40.6 16.1
239 4 1 -1 41.453 82.906 0.43 3.09 4 40.8 16.2
240 4 1 1 41.545 83.09 0.43 3.08 4 15.6 2.4
241 2 2 -7 41.594 83.188 0.431 3.08 4 73.1 51.7
242 4 0 -2 41.864 83.728 0.433 3.05 2 15.4 1.1
243 2 2 7 41.915 83.829 0.434 3.05 4 77.4 57.4
244 4 0 2 42.047 84.094 0.435 3.03 2 16.4 1.3
245 1 6 -3 42.099 84.199 0.435 3.03 4 30.5 8.8
246 1 6 3 42.168 84.336 0.436 3.02 4 17.7 3.0
247 3 0 -6 42.26 84.52 0.437 3.01 2 90.8 39.0
248 1 2 -8 42.33 84.66 0.437 3.01 4 18.3 3.2
249 3 4 -3 42.393 84.786 0.438 3.0 4 3.0 0.1
250 4 1 -2 42.454 84.909 0.438 3.0 4 24.8 5.8
251 1 2 8 42.513 85.026 0.439 2.99 4 20.3 3.9
252 2 5 -4 42.553 85.105 0.439 2.99 4 10.1 1.0
253 3 4 3 42.599 85.198 0.439 2.99 4 19.9 3.7
254 4 1 2 42.637 85.274 0.44 2.98 4 8.7 0.7
255 3 0 6 42.671 85.343 0.44 2.98 2 85.4 34.1
256 2 5 4 42.735 85.471 0.44 2.97 4 8.5 0.7
257 0 4 7 42.753 85.507 0.441 2.97 4 12.6 1.5
258 3 1 -6 42.85 85.699 0.441 2.97 4 24.8 5.7
259 4 2 0 42.921 85.843 0.442 2.96 4 6.7 0.4
260 0 6 4 43.052 86.104 0.443 2.95 4 34.1 10.8
261 4 2 -1 43.223 86.447 0.445 2.94 4 50.1 23.1
262 3 1 6 43.26 86.521 0.445 2.93 4 2.7 0.1
263 4 2 1 43.315 86.629 0.445 2.93 4 34.8 11.1
264 0 5 6 43.531 87.062 0.447 2.92 4 3.4 0.1
265 2 6 0 43.556 87.112 0.447 2.91 4 34.6 11.0
266 3 3 -5 43.768 87.536 0.449 2.9 4 33.2 10.0
267 0 3 8 43.848 87.697 0.45 2.89 4 25.7 6.0
268 2 6 -1 43.881 87.761 0.45 2.89 4 38.8 13.7
269 2 6 1 43.926 87.852 0.45 2.89 4 64.2 37.4
270 3 3 5 44.11 88.22 0.452 2.88 4 35.1 11.2
271 4 1 -3 44.147 88.294 0.452 2.88 4 39.9 14.4
272 2 4 -6 44.163 88.326 0.452 2.87 4 47.7 20.5
273 1 4 -7 44.19 88.379 0.452 2.87 4 27.3 6.7
274 4 2 -2 44.22 88.44 0.453 2.87 4 15.1 2.1
275 1 4 7 44.349 88.698 0.454 2.86 4 20.6 3.8
276 4 2 2 44.402 88.804 0.454 2.86 4 0.2 0.0
277 4 1 3 44.42 88.841 0.454 2.86 4 46.7 19.6
278 2 0 -8 44.434 88.869 0.454 2.86 2 20.7 1.9
279 2 4 6 44.436 88.873 0.454 2.86 4 70.5 44.6
280 1 6 -4 44.522 89.044 0.455 2.85 4 17.8 2.8
281 2 3 -7 44.539 89.078 0.455 2.85 4 4.6 0.2
282 1 6 4 44.613 89.226 0.456 2.85 4 8.3 0.6
283 3 2 -6 44.614 89.228 0.456 2.85 4 0.1 0.0
284 3 5 0 44.663 89.327 0.456 2.85 4 4.4 0.2
285 3 4 -4 44.792 89.584 0.457 2.84 4 27.5 6.7
286 2 0 8 44.799 89.597 0.457 2.84 2 43.7 8.5
287 2 3 7 44.858 89.716 0.458 2.84 4 21.9 4.3
288 2 6 -2 44.899 89.798 0.458 2.83 4 11.9 1.3
289 3 5 -1 44.976 89.953 0.459 2.83 4 61.9 34.1
290 1 5 -6 44.977 89.955 0.459 2.83 4 5.5 0.3
291 2 6 2 44.99 89.981 0.459 2.83 4 39.3 13.7
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 0 1 1 7.337 14.675 6.03144 469.5 49.1 49.6 5.6
2 0 0 2 8.954 17.909 4.94885 84.7 8.8 8.9 5.6
3 1 0 0 9.355 18.709 4.73885 349.2 36.5 36.8 5.6
4 0 1 2 10.701 21.402 4.14826 101.9 10.7 10.7 5.6
5 1 1 -1 11.902 23.803 3.73498 284.2 29.7 29.8 5.6
6 1 1 1 11.958 23.916 3.71765 114.9 12.0 12.1 5.6
7 0 2 1 12.53 25.061 3.55038 379.4 39.6 39.8 5.6
8 1 0 -2 12.954 25.908 3.43621 423.7 44.3 44.4 5.6
9 1 0 2 13.058 26.115 3.40936 158.3 16.5 16.6 5.6
10 1 1 -2 14.239 28.479 3.13154 889.9 93.0 93.0 5.6
11 1 1 2 14.335 28.669 3.11117 956.8 100.0 100.0 5.6
12 0 1 3 14.743 29.486 3.02681 244.6 25.6 25.6 5.6
13 0 2 2 14.799 29.597 3.01572 89.5 9.3 9.3 5.6
14 1 2 0 15.051 30.102 2.96624 577.5 60.4 60.3 5.6
15 1 2 -1 15.708 31.415 2.84523 794.7 83.1 82.9 5.6
16 1 2 1 15.751 31.502 2.83755 868.8 90.8 90.6 5.6
17 1 1 -3 17.516 35.033 2.55926 673.0 70.3 70.0 5.7
18 1 2 -2 17.584 35.167 2.54976 66.2 6.9 6.9 5.7
19 1 1 3 17.635 35.27 2.54258 505.7 52.9 52.6 5.7
20 0 2 3 18.003 36.006 2.49226 11.9 1.2 1.2 5.7
21 0 0 4 18.137 36.275 2.47442 111.3 11.6 11.6 5.7
22 0 3 1 18.276 36.551 2.45634 84.3 8.8 8.7 5.7
23 2 0 0 18.971 37.942 2.36943 150.4 15.7 15.6 5.7
24 0 1 4 19.108 38.216 2.35307 249.7 26.1 25.9 5.7
25 2 1 0 19.907 39.814 2.26223 13.1 1.4 1.4 5.7
26 0 3 2 19.958 39.916 2.25669 390.1 40.8 40.4 5.7
27 1 3 0 20.153 40.306 2.23573 145.0 15.2 15.0 5.7
28 1 2 -3 20.386 40.773 2.21122 145.9 15.3 15.1 5.7
29 1 2 3 20.491 40.982 2.20044 468.3 48.9 48.4 5.7
30 1 0 4 20.629 41.257 2.18638 31.6 3.3 3.3 5.7
31 1 3 -1 20.667 41.333 2.18252 93.2 9.7 9.6 5.7
32 2 0 2 21.194 42.389 2.1306 70.9 7.4 7.3 5.7
33 1 1 -4 21.37 42.741 2.11385 18.2 1.9 1.9 5.7
34 1 1 4 21.504 43.009 2.10131 115.5 12.1 11.9 5.7
35 2 1 -2 21.921 43.841 2.06331 40.8 4.3 4.2 5.7
36 2 1 2 22.052 44.104 2.05164 42.5 4.4 4.4 5.7
37 1 3 -2 22.181 44.362 2.0403 60.6 6.3 6.2 5.7
38 1 3 2 22.246 44.492 2.03463 190.8 19.9 19.6 5.7
39 0 3 3 22.528 45.056 2.01048 71.1 7.4 7.3 5.7
40 2 2 -1 22.975 45.95 1.97341 288.6 30.2 29.7 5.7
41 2 2 1 23.038 46.077 1.96828 273.8 28.6 28.1 5.7
42 0 1 5 23.708 47.417 1.91574 33.6 3.5 3.4 5.7
43 0 4 0 23.893 47.787 1.90175 131.4 13.7 13.5 5.7
44 1 2 4 23.977 47.954 1.89552 11.6 1.2 1.2 5.7
45 2 1 -3 24.293 48.586 1.87231 310.5 32.5 31.8 5.7
46 0 4 1 24.359 48.717 1.86759 66.1 6.9 6.8 5.7
47 2 1 3 24.475 48.95 1.85926 274.6 28.7 28.1 5.7
48 1 3 -3 24.549 49.098 1.854 26.2 2.7 2.7 5.7
49 1 3 3 24.639 49.278 1.84763 24.2 2.5 2.5 5.7
50 0 4 2 25.716 51.432 1.77519 174.8 18.3 17.9 5.8
51 0 3 4 25.782 51.565 1.77094 193.4 20.2 19.8 5.8
52 1 4 0 25.877 51.753 1.76493 219.8 23.0 22.4 5.8
53 0 2 5 26.019 52.038 1.75596 228.0 23.8 23.3 5.8
54 1 4 -1 26.302 52.603 1.7384 16.2 1.7 1.6 5.8
55 2 0 -4 26.637 53.273 1.71811 18.6 1.9 1.9 5.8
56 2 3 -1 26.824 53.648 1.707 20.8 2.2 2.1 5.8
57 2 3 1 26.88 53.761 1.70368 119.9 12.5 12.2 5.8
58 2 1 -4 27.363 54.726 1.67589 212.9 22.3 21.7 5.8
59 1 3 -4 27.612 55.224 1.66195 320.0 33.4 32.5 5.8
60 1 3 4 27.723 55.445 1.65584 179.7 18.8 18.3 5.8
61 0 0 6 27.836 55.672 1.64962 168.0 17.6 17.1 5.8
62 1 2 5 27.961 55.923 1.64283 111.2 11.6 11.3 5.8
63 2 3 -2 28.069 56.137 1.63705 241.8 25.3 24.5 5.8
64 2 3 2 28.178 56.356 1.63121 183.3 19.2 18.6 5.8
65 3 0 0 29.185 58.371 1.57962 71.3 7.5 7.2 5.8
66 1 0 -6 29.552 59.105 1.56174 126.1 13.2 12.7 5.8
67 1 4 -3 29.627 59.255 1.55814 16.5 1.7 1.7 5.8
68 2 2 4 29.681 59.362 1.55559 26.7 2.8 2.7 5.8
69 1 0 6 29.711 59.423 1.55414 125.8 13.1 12.7 5.8
70 2 3 3 30.242 60.484 1.52938 19.1 2.0 1.9 5.8
71 0 2 6 30.595 61.191 1.51341 69.5 7.3 7.0 5.8
72 0 4 4 30.72 61.44 1.50786 65.8 6.9 6.6 5.8
73 0 5 1 30.813 61.627 1.50374 20.0 2.1 2.0 5.8
74 2 1 -5 31.007 62.013 1.49529 11.2 1.2 1.1 5.8
75 1 3 -5 31.25 62.5 1.48482 17.6 1.8 1.8 5.8
76 3 1 -2 31.376 62.752 1.47946 66.6 7.0 6.7 5.9
77 3 1 2 31.529 63.059 1.47299 50.6 5.3 5.1 5.9
78 2 4 1 31.705 63.409 1.46569 26.3 2.7 2.6 5.9
79 3 2 0 31.872 63.743 1.45881 14.5 1.5 1.5 5.9
80 3 2 -1 32.219 64.439 1.44473 90.0 9.4 9.0 5.9
81 3 2 1 32.295 64.59 1.44171 97.4 10.2 9.8 5.9
82 1 4 -4 32.367 64.734 1.43887 40.9 4.3 4.1 5.9
83 1 5 -1 32.495 64.99 1.4338 139.4 14.6 14.0 5.9
84 2 4 -2 32.783 65.565 1.42262 43.4 4.5 4.3 5.9
85 2 4 2 32.883 65.765 1.41878 35.9 3.8 3.6 5.9
86 2 2 -5 32.968 65.937 1.4155 61.6 6.4 6.2 5.9
87 2 2 5 33.217 66.434 1.4061 38.5 4.0 3.8 5.9
88 3 1 -3 33.259 66.517 1.40454 74.1 7.7 7.4 5.9
89 3 1 3 33.482 66.963 1.39627 92.2 9.6 9.2 5.9
90 2 4 3 34.783 69.567 1.35024 12.2 1.3 1.2 5.9
91 2 0 6 34.824 69.648 1.34887 12.0 1.3 1.2 5.9
92 3 3 0 35.066 70.132 1.34074 15.1 1.6 1.5 5.9
93 3 2 -3 35.154 70.309 1.3378 19.8 2.1 2.0 5.9
94 1 1 7 35.356 70.712 1.33116 21.5 2.2 2.1 5.9
95 1 5 -3 35.467 70.934 1.32753 87.4 9.1 8.7 5.9
96 1 5 3 35.539 71.078 1.32519 73.7 7.7 7.3 5.9
97 1 4 -5 35.723 71.446 1.31928 27.5 2.9 2.7 5.9
98 1 4 5 35.843 71.686 1.31545 11.6 1.2 1.2 5.9
99 1 2 -7 37.038 74.076 1.27881 71.0 7.4 7.0 6.0
100 2 4 -4 37.171 74.342 1.27488 17.0 1.8 1.7 6.0
101 1 2 7 37.204 74.407 1.27393 36.1 3.8 3.6 6.0
102 2 2 6 37.294 74.588 1.27129 25.3 2.6 2.5 6.0
103 2 5 1 37.374 74.749 1.26895 11.0 1.2 1.1 6.0
104 0 6 0 37.413 74.826 1.26783 30.1 3.1 3.0 6.0
105 0 6 1 37.772 75.544 1.25756 42.0 4.4 4.1 6.0
106 1 5 -4 37.99 75.98 1.25142 11.3 1.2 1.1 6.0
107 1 5 4 38.084 76.168 1.24881 14.9 1.6 1.5 6.0
108 0 4 6 38.18 76.36 1.24613 106.4 11.1 10.4 6.0
109 3 3 -3 38.221 76.443 1.24499 14.7 1.5 1.4 6.0
110 2 5 -2 38.378 76.756 1.24069 17.6 1.8 1.7 6.0
111 3 3 3 38.432 76.864 1.23922 11.6 1.2 1.1 6.0
112 2 5 2 38.472 76.943 1.23814 12.0 1.3 1.2 6.0
113 0 0 8 38.506 77.012 1.23721 24.5 2.6 2.4 6.0
114 3 1 -5 39.025 78.051 1.22332 12.0 1.2 1.2 6.0
115 0 1 8 39.107 78.215 1.22117 38.4 4.0 3.8 6.0
116 3 4 0 39.339 78.679 1.21512 92.9 9.7 9.1 6.0
117 3 1 5 39.374 78.748 1.21422 11.5 1.2 1.1 6.0
118 0 5 5 39.684 79.368 1.20629 62.9 6.6 6.1 6.0
119 1 3 -7 40.053 80.106 1.19703 20.0 2.1 2.0 6.0
120 2 5 -3 40.126 80.251 1.19522 78.6 8.2 7.7 6.0
121 2 5 3 40.264 80.529 1.1918 60.3 6.3 5.9 6.1
122 1 6 -2 40.36 80.72 1.18945 17.6 1.8 1.7 6.1
123 4 0 0 40.555 81.111 1.18471 60.8 6.4 5.9 6.1
124 3 3 -4 40.663 81.326 1.18212 55.2 5.8 5.4 6.1
125 3 2 -5 40.816 81.632 1.17846 61.1 6.4 5.9 6.1
126 3 3 4 40.939 81.878 1.17554 31.6 3.3 3.1 6.1
127 3 2 5 41.161 82.322 1.17032 45.4 4.7 4.4 6.1
128 1 5 5 41.275 82.55 1.16767 16.1 1.7 1.6 6.1
129 4 1 -1 41.453 82.906 1.16355 16.2 1.7 1.6 6.1
130 2 2 -7 41.594 83.188 1.16033 51.7 5.4 5.0 6.1
131 2 2 7 41.915 83.829 1.15308 57.4 6.0 5.5 6.1
132 3 0 -6 42.26 84.52 1.1454 39.0 4.1 3.8 6.1
133 3 0 6 42.671 85.343 1.13645 34.1 3.6 3.3 6.1
134 0 6 4 43.052 86.104 1.12834 10.8 1.1 1.0 6.1
135 4 2 -1 43.223 86.447 1.12475 23.1 2.4 2.2 6.1
136 4 2 1 43.315 86.629 1.12285 11.1 1.2 1.1 6.1
137 2 6 0 43.556 87.112 1.11786 11.0 1.1 1.0 6.1
138 3 3 -5 43.768 87.536 1.11354 10.0 1.1 1.0 6.2
139 2 6 -1 43.881 87.761 1.11126 13.7 1.4 1.3 6.2
140 2 6 1 43.926 87.852 1.11034 37.4 3.9 3.6 6.2
141 3 3 5 44.11 88.22 1.10667 11.2 1.2 1.1 6.2
142 2 4 -6 44.163 88.326 1.10561 43.7 4.6 4.2 6.2
143 2 4 6 44.436 88.873 1.10022 66.1 6.9 6.3 6.2
144 2 0 8 44.799 89.597 1.09319 15.3 1.6 1.4 6.2
145 3 5 -1 44.976 89.953 1.08979 48.1 5.0 4.6 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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