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
2, t-datolite, s-gadolinite
Y(2)Be(2)[SiO(4)](2)(OH)(2)
Monoclinic P 2(1)/a Z = 2
P2(1)/a
8 .4 .1996
Ref.Str.:
King G.S.D., Sengier-Roberts L. (1988)
* Bull. Mineral., 111, 431-437
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.93 alpha = 90.0
b = 7.766 beta = 90.17
c = 4.768 gamma = 90.0
Unit cell volume (cub. angs.) = 367.69
Molar volume ( cub.cm/mol.) = 110.74
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3312 0.1108 0.001 0.0 Y = 1.00
2 0.335 0.415 0.447 0.0 Be = 1.00
3 0.5808 0.2258 0.5152 0.0 Si = 1.00
4 0.536 0.088 0.759 0.0 O = 1.00
5 0.452 0.288 0.327 0.0 O = 1.00
6 0.694 0.15 0.308 0.0 O = 1.00
7 0.648 0.392 0.684 0.0 O = 1.00
8 0.33 0.413 0.788 0.0 O = 1.00
9 0.43 0.48 0.8 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3312 0.1108 0.001
2 2 0.335 0.415 0.447
3 3 0.5808 0.2258 0.5152
4 4 0.536 0.088 0.759
5 5 0.452 0.288 0.327
6 6 0.694 0.15 0.308
7 7 0.648 0.392 0.684
8 8 0.33 0.413 0.788
9 9 0.43 0.48 0.8
10 1 0.6688 0.8892 0.999
11 2 0.665 0.585 0.553
12 3 0.4192 0.7742 0.4848
13 4 0.464 0.912 0.241
14 5 0.548 0.712 0.673
15 6 0.306 0.85 0.692
16 7 0.352 0.608 0.316
17 8 0.67 0.587 0.212
18 9 0.57 0.52 0.2
19 1 0.8312 0.3892 0.001
20 2 0.835 0.085 0.447
21 3 0.0808 0.2742 0.5152
22 4 0.036 0.412 0.759
23 5 0.952 0.212 0.327
24 6 0.194 0.35 0.308
25 7 0.148 0.108 0.684
26 8 0.83 0.087 0.788
27 9 0.93 0.02 0.8
28 1 0.1688 0.6108 0.999
29 2 0.165 0.915 0.553
30 3 0.9192 0.7258 0.4848
31 4 0.964 0.588 0.241
32 5 0.048 0.788 0.673
33 6 0.806 0.65 0.692
34 7 0.852 0.892 0.316
35 8 0.17 0.913 0.212
36 9 0.07 0.98 0.2
X-ray density (g/cm cub.) = 3.74
MU (1/cm) = 262.742 Mass attenuation coefficient (cm**2/g) = 70.284
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Y 2.796 8
2.3479 4
2.3953 5
2.5572 8
2.3287 4
2.5166 6
2.7316 6
2.3618 7
2.438 8
2 Be 2.04 4
1.6291 5
1.6269 8
1.6327 7
1.6275 6
3 Si 2.1 4
1.6424 4
1.6333 5
1.6102 6
1.6601 7
4 O 3.264 11
3.2336 5
2.7094 5
3.0856 6
2.7088 6
2.6345 7
3.252 8
2.7696 4
2.9101 4
2.9511 5
2.9547 6
2.9223 8
5 O 3.264 10
2.7094 4
3.2336 4
2.633 6
2.7052 7
2.6939 8
2.9994 8
2.9511 4
2.6766 7
3.2227 8
2.6081 6
6 O 3.264 9
2.7088 4
3.0856 4
2.633 5
2.6381 7
2.9547 4
2.6081 5
2.6986 8
2.8688 8
2.545 7
7 O 3.264 9
2.6345 4
2.7052 5
2.6381 6
3.202 8
2.6766 5
2.9454 8
2.7219 8
3.0195 8
2.545 6
8 O 3.264 11
3.252 4
2.9994 5
2.6939 5
3.202 7
3.2227 5
2.9454 7
2.7219 7
2.9223 4
2.8688 6
2.6986 6
3.0195 7
9 H 1.632 1
1.1224 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 7.234 14.467 0.082 123.19 4 49.6 895.3
2 2 0 0 8.925 17.85 0.101 80.16 2 46.7 258.9
3 0 0 1 9.297 18.594 0.105 73.7 2 53.0 306.3
4 2 1 0 10.611 21.222 0.12 56.08 4 29.7 146.2
5 0 1 1 10.928 21.856 0.123 52.75 4 2.1 0.7
6 0 2 0 11.442 22.884 0.129 47.93 2 14.3 14.5
7 1 1 -1 11.809 23.618 0.133 44.87 4 58.8 459.7
8 1 1 1 11.83 23.66 0.133 44.7 4 45.3 271.9
9 1 2 0 12.298 24.596 0.138 41.21 4 66.0 531.2
10 2 0 -1 12.924 25.847 0.145 37.12 2 104.1 594.7
11 2 0 1 12.963 25.925 0.146 36.89 2 73.2 292.8
12 2 1 -1 14.162 28.323 0.159 30.58 4 108.2 1058.7
13 2 1 1 14.198 28.395 0.159 30.42 4 110.0 1089.9
14 2 2 0 14.586 29.172 0.163 28.71 4 43.9 164.0
15 3 1 0 14.653 29.307 0.164 28.43 4 50.1 211.6
16 0 2 1 14.823 29.646 0.166 27.74 4 73.9 447.9
17 1 2 -1 15.497 30.995 0.173 25.22 4 115.8 1000.7
18 1 2 1 15.514 31.028 0.174 25.16 4 118.7 1048.8
19 2 2 -1 17.395 34.789 0.194 19.63 4 26.1 39.6
20 2 2 1 17.424 34.849 0.194 19.56 4 7.4 3.1
21 3 1 -1 17.445 34.889 0.195 19.51 4 106.9 659.3
22 3 1 1 17.489 34.978 0.195 19.4 4 85.8 423.0
23 3 2 0 17.806 35.611 0.198 18.66 4 18.9 19.7
24 1 3 0 17.909 35.818 0.2 18.42 4 34.7 65.6
25 4 0 0 18.076 36.153 0.201 18.05 2 80.0 171.0
26 0 0 2 18.851 37.702 0.21 16.46 2 77.0 144.5
27 4 1 0 19.011 38.022 0.211 16.15 4 80.2 307.5
28 2 3 0 19.607 39.215 0.218 15.09 4 101.1 456.1
29 0 1 2 19.754 39.509 0.219 14.84 4 19.6 16.8
30 0 3 1 19.791 39.581 0.22 14.78 4 61.8 166.9
31 3 2 -1 20.213 40.427 0.224 14.1 4 67.0 187.2
32 3 2 1 20.253 40.506 0.225 14.04 4 73.9 227.1
33 1 1 -2 20.277 40.554 0.225 14.0 4 13.2 7.2
34 1 1 2 20.303 40.606 0.225 13.96 4 74.7 230.7
35 1 3 -1 20.319 40.639 0.225 13.94 4 46.3 88.4
36 1 3 1 20.332 40.665 0.226 13.92 4 5.9 1.5
37 4 0 -1 20.45 40.901 0.227 13.74 2 90.8 167.4
38 4 0 1 20.502 41.005 0.227 13.66 2 28.2 16.0
39 2 0 -2 20.978 41.956 0.232 12.98 2 15.4 4.6
40 2 0 2 21.029 42.058 0.233 12.91 2 79.4 120.3
41 4 1 -1 21.297 42.594 0.236 12.55 4 32.6 39.5
42 4 1 1 21.347 42.695 0.236 12.48 4 66.6 163.6
43 4 2 0 21.609 43.219 0.239 12.14 4 5.1 0.9
44 2 1 -2 21.808 43.615 0.241 11.9 4 38.9 53.2
45 2 3 -1 21.854 43.707 0.242 11.84 4 47.7 79.7
46 2 1 2 21.857 43.714 0.242 11.83 4 42.6 63.6
47 2 3 1 21.878 43.757 0.242 11.81 4 84.5 249.7
48 3 3 0 22.195 44.389 0.245 11.43 4 68.0 156.4
49 0 2 2 22.281 44.561 0.246 11.33 4 18.1 10.9
50 1 2 -2 22.756 45.512 0.251 10.81 4 109.6 384.3
51 1 2 2 22.78 45.559 0.251 10.78 4 107.5 368.3
52 0 4 0 23.375 46.75 0.258 10.17 2 121.1 220.7
53 5 1 0 23.599 47.199 0.26 9.95 4 50.0 73.6
54 4 2 -1 23.69 47.38 0.261 9.87 4 6.1 1.1
55 4 2 1 23.736 47.472 0.261 9.82 4 30.9 27.8
56 1 4 0 23.845 47.689 0.262 9.72 4 42.4 51.8
57 2 2 -2 24.16 48.321 0.266 9.44 4 30.8 26.5
58 3 1 -2 24.193 48.386 0.266 9.41 4 109.1 331.5
59 2 2 2 24.206 48.412 0.266 9.4 4 25.4 18.0
60 3 3 -1 24.241 48.482 0.267 9.36 4 47.1 61.5
61 3 1 2 24.261 48.522 0.267 9.35 4 101.9 287.4
62 3 3 1 24.275 48.55 0.267 9.33 4 50.9 71.6
63 2 4 0 25.214 50.428 0.277 8.56 4 91.0 209.6
64 0 4 1 25.365 50.729 0.278 8.45 4 122.1 372.3
65 4 3 0 25.462 50.923 0.279 8.37 4 89.1 196.6
66 5 1 -1 25.549 51.097 0.28 8.31 4 32.5 25.9
67 5 1 1 25.603 51.206 0.281 8.27 4 62.7 96.2
68 1 4 -1 25.802 51.603 0.283 8.12 4 24.0 13.9
69 1 4 1 25.813 51.625 0.283 8.12 4 9.7 2.3
70 5 2 0 25.826 51.652 0.283 8.11 4 112.0 301.1
71 0 3 2 26.056 52.112 0.285 7.95 4 0.6 0.0
72 3 2 -2 26.383 52.765 0.288 7.72 4 0.0 0.0
73 3 2 2 26.447 52.893 0.289 7.68 4 23.7 12.8
74 1 3 -2 26.479 52.959 0.289 7.66 4 24.8 13.9
75 1 3 2 26.501 53.002 0.29 7.64 4 58.6 77.8
76 4 0 -2 26.571 53.141 0.29 7.6 2 52.5 31.0
77 4 0 2 26.656 53.312 0.291 7.54 2 78.6 69.0
78 2 4 -1 27.093 54.187 0.296 7.27 4 23.9 12.3
79 2 4 1 27.114 54.229 0.296 7.26 4 30.1 19.4
80 4 1 -2 27.269 54.538 0.297 7.16 4 114.4 277.2
81 4 3 -1 27.318 54.637 0.298 7.13 4 104.7 231.3
82 4 1 2 27.353 54.705 0.298 7.11 4 86.9 159.0
83 4 3 1 27.36 54.72 0.298 7.11 4 109.1 250.2
84 3 4 0 27.384 54.769 0.299 7.09 4 17.9 6.7
85 5 2 -1 27.661 55.321 0.301 6.93 4 58.4 70.1
86 5 2 1 27.712 55.425 0.302 6.91 4 88.8 161.2
87 6 0 0 27.738 55.476 0.302 6.89 2 112.7 129.6
88 2 3 -2 27.744 55.488 0.302 6.89 4 126.2 324.5
89 2 3 2 27.785 55.571 0.303 6.86 4 109.2 242.1
90 6 1 0 28.417 56.833 0.309 6.52 4 5.4 0.6
91 0 0 3 28.99 57.98 0.315 6.24 2 97.5 87.6
92 3 4 -1 29.162 58.323 0.316 6.15 4 36.0 23.6
93 3 4 1 29.192 58.384 0.317 6.14 4 13.1 3.1
94 5 3 0 29.265 58.53 0.317 6.1 4 29.7 15.9
95 4 2 -2 29.296 58.591 0.318 6.09 4 16.9 5.1
96 4 2 2 29.375 58.751 0.318 6.05 4 33.1 19.6
97 6 0 -1 29.486 58.973 0.32 6.0 2 120.8 129.5
98 6 0 1 29.546 59.092 0.32 5.97 2 130.0 149.4
99 0 1 3 29.65 59.3 0.321 5.93 4 4.6 0.4
100 3 3 -2 29.778 59.555 0.322 5.87 4 42.9 32.0
101 3 3 2 29.837 59.674 0.323 5.84 4 42.5 31.3
102 1 1 -3 30.035 60.07 0.325 5.76 4 37.5 23.9
103 1 1 3 30.064 60.129 0.325 5.75 4 23.7 9.5
104 1 5 0 30.13 60.26 0.326 5.72 4 36.2 22.2
105 6 1 -1 30.14 60.279 0.326 5.71 4 5.6 0.5
106 6 1 1 30.199 60.397 0.327 5.69 4 11.3 2.2
107 4 4 0 30.243 60.486 0.327 5.67 4 43.3 31.4
108 6 2 0 30.394 60.787 0.328 5.61 4 62.6 65.0
109 2 0 -3 30.56 61.121 0.33 5.54 2 83.4 57.0
110 2 0 3 30.619 61.237 0.331 5.52 2 49.9 20.3
111 0 4 2 30.775 61.55 0.332 5.45 4 40.9 27.0
112 5 1 -2 30.913 61.826 0.333 5.4 4 44.6 31.8
113 5 3 -1 30.963 61.927 0.334 5.38 4 34.0 18.4
114 5 1 2 31.01 62.019 0.334 5.36 4 16.5 4.3
115 5 3 1 31.012 62.023 0.334 5.36 4 34.2 18.6
116 1 4 -2 31.156 62.312 0.336 5.31 4 26.5 11.0
117 1 4 2 31.175 62.351 0.336 5.3 4 45.8 32.9
118 2 1 -3 31.2 62.4 0.336 5.29 4 66.8 69.8
119 2 1 3 31.258 62.516 0.337 5.27 4 68.7 73.7
120 2 5 0 31.308 62.615 0.337 5.25 4 26.3 10.7
121 0 5 1 31.438 62.877 0.339 5.2 4 18.7 5.4
122 0 2 3 31.58 63.159 0.34 5.15 4 25.0 9.6
123 1 5 -1 31.82 63.639 0.342 5.07 4 59.1 52.4
124 1 5 1 31.829 63.658 0.342 5.06 4 69.3 72.0
125 4 4 -1 31.915 63.83 0.343 5.04 4 55.5 45.8
126 1 2 -3 31.951 63.901 0.344 5.02 4 96.3 137.7
127 4 4 1 31.953 63.906 0.344 5.02 4 38.4 21.9
128 1 2 3 31.979 63.958 0.344 5.01 4 97.1 139.8
129 6 2 -1 32.052 64.104 0.344 4.99 4 11.5 2.0
130 6 2 1 32.109 64.217 0.345 4.97 4 20.6 6.2
131 2 4 -2 32.303 64.605 0.347 4.9 4 53.7 41.8
132 2 4 2 32.34 64.681 0.347 4.89 4 52.5 39.8
133 4 3 -2 32.496 64.991 0.349 4.84 4 33.9 16.5
134 4 3 2 32.571 65.141 0.349 4.82 4 35.3 17.8
135 5 2 -2 32.799 65.599 0.352 4.75 4 71.5 71.7
136 5 2 2 32.893 65.786 0.353 4.72 4 62.7 54.9
137 2 5 -1 32.958 65.917 0.353 4.7 4 6.0 0.5
138 2 5 1 32.977 65.954 0.353 4.69 4 24.5 8.3
139 2 2 -3 33.078 66.155 0.354 4.66 4 4.2 0.2
140 3 1 -3 33.099 66.199 0.354 4.65 4 78.7 85.2
141 2 2 3 33.133 66.267 0.355 4.64 4 4.3 0.3
142 3 1 3 33.183 66.366 0.355 4.63 4 91.6 114.9
143 3 5 0 33.217 66.435 0.356 4.62 4 42.6 24.8
144 7 1 0 33.503 67.006 0.358 4.54 4 5.8 0.5
145 6 3 0 33.533 67.066 0.359 4.53 4 8.3 0.9
146 5 4 0 33.699 67.398 0.36 4.48 4 10.1 1.4
147 3 4 -2 34.174 68.348 0.365 4.35 4 3.0 0.1
148 3 4 2 34.229 68.458 0.365 4.34 4 35.4 16.1
149 6 0 -2 34.458 68.916 0.367 4.28 2 41.3 10.8
150 6 0 2 34.567 69.135 0.368 4.25 2 48.4 14.7
151 0 3 3 34.661 69.321 0.369 4.23 4 41.2 21.3
152 3 5 -1 34.816 69.632 0.371 4.19 4 107.1 142.1
153 3 5 1 34.843 69.687 0.371 4.18 4 89.5 99.1
154 3 2 -3 34.923 69.846 0.372 4.16 4 41.3 21.0
155 3 2 3 35.005 70.01 0.372 4.14 4 18.9 4.4
156 1 3 -3 35.015 70.029 0.372 4.14 4 5.9 0.4
157 1 3 3 35.042 70.084 0.373 4.13 4 12.3 1.8
158 6 1 -2 35.059 70.119 0.373 4.13 4 2.8 0.1
159 7 1 -1 35.078 70.155 0.373 4.13 4 31.4 12.1
160 4 0 -3 35.079 70.157 0.373 4.13 2 7.0 0.3
161 6 3 -1 35.111 70.223 0.373 4.12 4 12.8 2.0
162 7 1 1 35.141 70.282 0.374 4.11 4 51.6 32.4
163 6 3 1 35.166 70.331 0.374 4.11 4 26.1 8.3
164 6 1 2 35.168 70.336 0.374 4.1 4 10.6 1.4
165 4 0 3 35.187 70.374 0.374 4.1 2 51.1 15.9
166 5 4 -1 35.279 70.557 0.375 4.08 4 50.0 30.1
167 7 2 0 35.317 70.634 0.375 4.07 4 48.6 28.4
168 5 4 1 35.324 70.647 0.375 4.07 4 35.1 14.8
169 4 1 -3 35.676 71.351 0.379 3.99 4 4.4 0.2
170 4 1 3 35.783 71.567 0.38 3.97 4 3.7 0.2
171 4 5 0 35.803 71.606 0.38 3.96 4 12.6 1.9
172 5 3 -2 35.827 71.655 0.38 3.96 4 7.6 0.7
173 5 3 2 35.917 71.834 0.381 3.94 4 4.7 0.3
174 2 3 -3 36.094 72.189 0.382 3.9 4 27.4 8.7
175 2 3 3 36.148 72.296 0.383 3.89 4 10.7 1.3
176 0 5 2 36.292 72.584 0.384 3.86 4 1.2 0.0
177 0 6 0 36.521 73.042 0.386 3.81 2 95.6 51.5
178 1 5 -2 36.644 73.287 0.387 3.79 4 1.0 0.0
179 1 5 2 36.661 73.323 0.388 3.78 4 29.1 9.5
180 4 4 -2 36.72 73.439 0.388 3.77 4 37.6 15.8
181 4 4 2 36.791 73.582 0.389 3.76 4 12.3 1.7
182 6 2 -2 36.839 73.678 0.389 3.75 4 31.0 10.7
183 7 2 -1 36.857 73.713 0.389 3.75 4 95.1 100.2
184 1 6 0 36.881 73.761 0.39 3.74 4 83.5 77.2
185 7 2 1 36.919 73.838 0.39 3.74 4 73.8 60.2
186 6 2 2 36.945 73.891 0.39 3.73 4 48.4 25.9
187 4 5 -1 37.348 74.696 0.394 3.66 4 47.8 24.7
188 4 5 1 37.383 74.766 0.394 3.65 4 53.8 31.2
189 4 2 -3 37.443 74.886 0.395 3.64 4 10.1 1.1
190 4 2 3 37.549 75.098 0.396 3.62 4 38.1 15.5
191 6 4 0 37.704 75.408 0.397 3.59 4 137.6 201.2
192 2 5 -2 37.709 75.418 0.397 3.59 4 58.4 36.2
193 2 5 2 37.744 75.488 0.397 3.59 4 48.5 25.0
194 3 3 -3 37.875 75.75 0.399 3.56 4 57.8 35.2
195 2 6 0 37.952 75.905 0.399 3.55 4 6.7 0.5
196 3 3 3 37.954 75.908 0.399 3.55 4 53.4 30.0
197 0 6 1 38.072 76.145 0.4 3.53 4 25.6 6.8
198 7 3 0 38.257 76.513 0.402 3.5 4 2.9 0.1
199 8 0 0 38.358 76.716 0.403 3.49 2 101.0 52.6
200 1 6 -1 38.422 76.845 0.403 3.48 4 72.3 53.7
201 1 6 1 38.431 76.862 0.403 3.47 4 35.9 13.3
202 0 4 3 38.78 77.561 0.407 3.42 4 112.8 128.7
203 5 1 -3 38.883 77.766 0.407 3.41 4 55.6 31.1
204 8 1 0 38.936 77.871 0.408 3.4 4 75.2 56.9
205 5 1 3 39.014 78.028 0.409 3.39 4 49.7 24.7
206 5 5 0 39.02 78.039 0.409 3.39 4 60.9 37.1
207 1 4 -3 39.12 78.24 0.41 3.37 4 47.2 22.2
208 1 4 3 39.146 78.292 0.41 3.37 4 33.6 11.2
209 6 4 -1 39.213 78.426 0.41 3.36 4 66.6 44.1
210 6 4 1 39.265 78.53 0.411 3.35 4 38.8 14.9
211 3 5 -2 39.468 78.937 0.413 3.32 4 110.1 119.2
212 2 6 -1 39.476 78.952 0.413 3.32 4 46.0 20.8
213 2 6 1 39.493 78.987 0.413 3.32 4 21.9 4.7
214 3 5 2 39.52 79.041 0.413 3.32 4 110.3 119.4
215 7 1 -2 39.701 79.402 0.415 3.29 4 17.3 2.9
216 3 6 0 39.717 79.434 0.415 3.29 4 35.1 12.0
217 6 3 -2 39.738 79.475 0.415 3.29 4 20.6 4.1
218 7 3 -1 39.755 79.51 0.415 3.29 4 46.3 20.8
219 7 3 1 39.816 79.631 0.416 3.28 4 19.1 3.5
220 7 1 2 39.822 79.645 0.416 3.28 4 49.7 23.9
221 6 3 2 39.842 79.683 0.416 3.27 4 21.2 4.4
222 8 0 -1 39.851 79.702 0.416 3.27 2 51.5 12.8
223 5 4 -2 39.902 79.804 0.416 3.27 4 1.9 0.0
224 8 0 1 39.92 79.84 0.417 3.26 2 5.4 0.1
225 5 4 2 39.989 79.977 0.417 3.26 4 22.8 5.0
226 2 4 -3 40.16 80.319 0.419 3.23 4 42.6 17.4
227 2 4 3 40.212 80.423 0.419 3.23 4 44.6 19.0
228 0 0 4 40.257 80.513 0.419 3.22 2 131.3 82.3
229 4 3 -3 40.328 80.656 0.42 3.21 4 85.7 69.8
230 8 1 -1 40.423 80.845 0.421 3.2 4 7.2 0.5
231 4 3 3 40.432 80.863 0.421 3.2 4 73.6 51.3
232 8 1 1 40.492 80.983 0.421 3.2 4 31.4 9.3
233 5 5 -1 40.519 81.038 0.422 3.19 4 9.7 0.9
234 5 5 1 40.562 81.124 0.422 3.19 4 51.0 24.5
235 5 2 -3 40.603 81.206 0.422 3.18 4 91.6 79.0
236 8 2 0 40.655 81.31 0.423 3.18 4 13.1 1.6
237 5 2 3 40.733 81.465 0.424 3.17 4 83.7 65.6
238 0 1 4 40.827 81.654 0.424 3.16 4 27.9 7.3
239 1 1 -4 41.158 82.316 0.427 3.12 4 60.5 33.8
240 1 1 4 41.192 82.385 0.428 3.12 4 26.9 6.7
241 3 6 -1 41.219 82.438 0.428 3.11 4 42.6 16.8
242 3 6 1 41.245 82.489 0.428 3.11 4 21.6 4.3
243 7 2 -2 41.413 82.826 0.429 3.09 4 100.4 92.3
244 7 2 2 41.533 83.066 0.43 3.08 4 106.8 104.0
245 2 0 -4 41.615 83.231 0.431 3.07 2 34.1 5.3
246 2 0 4 41.684 83.368 0.432 3.07 2 25.4 2.9
247 3 4 -3 41.888 83.775 0.433 3.05 4 5.4 0.3
248 4 5 -2 41.902 83.803 0.434 3.05 4 21.0 4.0
249 3 4 3 41.965 83.93 0.434 3.04 4 25.8 6.0
250 4 5 2 41.97 83.94 0.434 3.04 4 17.7 2.8
251 8 2 -1 42.128 84.257 0.435 3.03 4 29.6 7.9
252 6 0 -3 42.141 84.281 0.436 3.03 2 117.3 61.6
253 4 6 0 42.156 84.312 0.436 3.02 4 35.3 11.1
254 2 1 -4 42.182 84.365 0.436 3.02 4 32.3 9.3
255 8 2 1 42.197 84.394 0.436 3.02 4 31.0 8.6
256 2 1 4 42.251 84.502 0.436 3.02 4 15.5 2.2
257 7 4 0 42.26 84.52 0.437 3.01 4 13.5 1.6
258 6 0 3 42.295 84.59 0.437 3.01 2 110.1 54.0
259 0 2 4 42.53 85.06 0.439 2.99 4 1.7 0.0
260 0 6 2 42.623 85.246 0.44 2.98 4 46.9 19.4
261 6 1 -3 42.707 85.413 0.44 2.98 4 32.1 9.1
262 6 5 0 42.853 85.707 0.441 2.97 4 3.9 0.1
263 1 2 -4 42.859 85.717 0.442 2.97 4 70.6 43.8
264 6 1 3 42.86 85.721 0.442 2.96 4 1.4 0.0
265 1 2 4 42.893 85.786 0.442 2.96 4 50.7 22.5
266 1 6 -2 42.96 85.921 0.442 2.96 4 57.3 28.7
267 1 6 2 42.977 85.955 0.443 2.96 4 91.4 73.1
268 5 3 -3 43.438 86.876 0.446 2.92 4 43.0 16.0
269 8 3 0 43.49 86.979 0.447 2.92 4 29.8 7.7
270 5 3 3 43.566 87.132 0.447 2.91 4 42.4 15.5
271 4 6 -1 43.638 87.277 0.448 2.91 4 15.2 2.0
272 4 6 1 43.672 87.345 0.448 2.91 4 0.2 0.0
273 6 4 -2 43.712 87.425 0.449 2.9 4 72.5 45.1
274 7 4 -1 43.73 87.459 0.449 2.9 4 33.7 9.7
275 7 4 1 43.789 87.578 0.449 2.9 4 24.8 5.3
276 6 4 2 43.815 87.629 0.449 2.9 4 103.9 92.4
277 2 2 -4 43.878 87.755 0.45 2.89 4 24.3 5.1
278 3 1 -4 43.893 87.787 0.45 2.89 4 48.1 19.8
279 0 5 3 43.902 87.804 0.45 2.89 4 6.8 0.4
280 2 2 4 43.946 87.892 0.45 2.89 4 6.4 0.3
281 2 6 -2 43.988 87.975 0.451 2.89 4 6.8 0.4
282 3 1 4 43.996 87.991 0.451 2.88 4 56.9 27.7
283 2 6 2 44.022 88.043 0.451 2.88 4 42.4 15.3
284 1 5 -3 44.234 88.468 0.453 2.87 4 72.6 44.7
285 7 3 -2 44.24 88.481 0.453 2.87 4 0.0 0.0
286 1 5 3 44.26 88.519 0.453 2.87 4 50.0 21.2
287 4 4 -3 44.294 88.589 0.453 2.87 4 32.2 8.8
288 1 7 0 44.317 88.633 0.453 2.87 4 2.9 0.1
289 6 5 -1 44.325 88.65 0.454 2.86 4 10.7 1.0
290 8 0 -2 44.33 88.661 0.454 2.86 2 34.6 5.1
291 7 3 2 44.36 88.72 0.454 2.86 4 25.7 5.6
292 6 5 1 44.376 88.753 0.454 2.86 4 1.6 0.0
293 4 4 3 44.397 88.793 0.454 2.86 4 72.6 44.6
294 6 2 -3 44.4 88.8 0.454 2.86 4 7.9 0.5
295 8 0 2 44.467 88.934 0.455 2.86 2 66.3 18.6
296 6 2 3 44.553 89.107 0.455 2.85 4 17.0 2.4
297 9 1 0 44.842 89.684 0.458 2.84 4 48.7 19.9
298 8 1 -2 44.894 89.788 0.458 2.83 4 79.5 53.0
299 8 3 -1 44.951 89.903 0.459 2.83 4 86.3 62.4
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 7.234 14.467 6.11734 895.3 43.7 44.2 5.6
2 2 0 0 8.925 17.85 4.96498 258.9 12.6 12.8 5.6
3 0 0 1 9.297 18.594 4.76798 306.3 14.9 15.1 5.6
4 2 1 0 10.611 21.222 4.18315 146.2 7.1 7.2 5.6
5 1 1 -1 11.809 23.618 3.76396 731.6 35.7 35.9 5.6
6 1 2 0 12.298 24.596 3.61634 531.2 25.9 26.1 5.6
7 2 0 -1 12.924 25.847 3.44412 594.7 29.0 29.1 5.6
8 2 0 1 12.963 25.925 3.43392 292.8 14.3 14.3 5.6
9 2 1 -1 14.162 28.323 3.14839 1058.7 51.7 51.8 5.6
10 2 1 1 14.198 28.395 3.1406 1089.9 53.2 53.3 5.6
11 2 2 0 14.586 29.172 3.05867 164.0 8.0 8.0 5.6
12 3 1 0 14.653 29.307 3.04495 211.6 10.3 10.3 5.6
13 0 2 1 14.823 29.646 3.01086 447.9 21.9 21.9 5.6
14 1 2 1 15.514 31.028 2.87983 2049.5 100.0 100.0 5.6
15 2 2 -1 17.395 34.789 2.57661 39.6 1.9 1.9 5.7
16 3 1 -1 17.445 34.889 2.56946 662.5 32.3 32.2 5.7
17 3 1 1 17.489 34.978 2.5631 423.0 20.6 20.6 5.7
18 1 3 0 17.909 35.818 2.50495 65.6 3.2 3.2 5.7
19 4 0 0 18.076 36.153 2.48249 171.0 8.3 8.3 5.7
20 0 0 2 18.851 37.702 2.38399 144.5 7.1 7.0 5.7
21 4 1 0 19.011 38.022 2.36461 307.5 15.0 14.9 5.7
22 2 3 0 19.607 39.215 2.29541 456.1 22.3 22.1 5.7
23 0 3 1 19.791 39.581 2.27499 166.9 8.1 8.1 5.7
24 3 2 -1 20.213 40.427 2.22934 187.2 9.1 9.1 5.7
25 3 2 1 20.253 40.506 2.22519 234.3 11.4 11.3 5.7
26 1 1 2 20.303 40.606 2.2199 319.2 15.6 15.4 5.7
27 4 0 -1 20.45 40.901 2.20459 167.4 8.2 8.1 5.7
28 2 0 2 21.029 42.058 2.1466 120.3 5.9 5.8 5.7
29 4 1 -1 21.297 42.594 2.1208 39.5 1.9 1.9 5.7
30 4 1 1 21.347 42.695 2.11603 163.6 8.0 7.9 5.7
31 2 1 -2 21.808 43.615 2.07347 53.2 2.6 2.6 5.7
32 2 3 1 21.878 43.757 2.06711 392.9 19.2 18.9 5.7
33 3 3 0 22.195 44.389 2.03911 156.4 7.6 7.5 5.7
34 1 2 -2 22.756 45.512 1.9914 752.7 36.7 36.2 5.7
35 0 4 0 23.375 46.75 1.9415 220.7 10.8 10.6 5.7
36 5 1 0 23.599 47.199 1.92407 73.6 3.6 3.5 5.7
37 4 2 1 23.736 47.472 1.91363 27.8 1.4 1.3 5.7
38 1 4 0 23.845 47.689 1.90542 51.8 2.5 2.5 5.7
39 2 2 -2 24.16 48.321 1.88198 26.5 1.3 1.3 5.7
40 3 1 -2 24.193 48.386 1.8796 349.5 17.1 16.8 5.7
41 3 1 2 24.261 48.522 1.87463 420.5 20.5 20.2 5.7
42 2 4 0 25.214 50.428 1.80817 209.6 10.2 10.0 5.8
43 0 4 1 25.365 50.729 1.79814 372.3 18.2 17.8 5.8
44 4 3 0 25.462 50.923 1.79175 196.6 9.6 9.4 5.8
45 5 1 -1 25.549 51.097 1.78605 25.9 1.3 1.2 5.8
46 5 1 1 25.603 51.206 1.78249 96.2 4.7 4.6 5.8
47 5 2 0 25.826 51.652 1.76815 317.2 15.5 15.2 5.8
48 1 3 2 26.501 53.002 1.72627 91.7 4.5 4.4 5.8
49 4 0 -2 26.571 53.141 1.72206 31.0 1.5 1.5 5.8
50 4 0 2 26.656 53.312 1.71696 69.0 3.4 3.3 5.8
51 2 4 1 27.114 54.229 1.69007 31.7 1.5 1.5 5.8
52 4 1 -2 27.269 54.538 1.68122 277.2 13.5 13.2 5.8
53 4 3 -1 27.318 54.637 1.67841 231.3 11.3 11.0 5.8
54 4 3 1 27.36 54.72 1.67605 415.9 20.3 19.8 5.8
55 5 2 -1 27.661 55.321 1.65925 70.1 3.4 3.3 5.8
56 5 2 1 27.712 55.425 1.6564 290.8 14.2 13.8 5.8
57 2 3 -2 27.744 55.488 1.65466 324.5 15.8 15.4 5.8
58 2 3 2 27.785 55.571 1.65239 242.1 11.8 11.5 5.8
59 0 0 3 28.99 57.98 1.58933 87.6 4.3 4.1 5.8
60 3 4 -1 29.162 58.323 1.58079 23.6 1.2 1.1 5.8
61 6 0 -1 29.486 58.973 1.56492 129.5 6.3 6.1 5.8
62 6 0 1 29.546 59.092 1.56205 149.4 7.3 7.1 5.8
63 3 3 -2 29.778 59.555 1.55099 32.0 1.6 1.5 5.8
64 3 3 2 29.837 59.674 1.5482 31.3 1.5 1.5 5.8
65 1 1 -3 30.035 60.07 1.53894 23.9 1.2 1.1 5.8
66 1 5 0 30.13 60.26 1.53454 22.8 1.1 1.1 5.8
67 4 4 0 30.243 60.486 1.52933 31.4 1.5 1.5 5.8
68 6 2 0 30.394 60.787 1.52247 65.0 3.2 3.1 5.8
69 2 0 -3 30.56 61.121 1.51497 57.0 2.8 2.7 5.8
70 0 4 2 30.775 61.55 1.50543 27.0 1.3 1.3 5.8
71 5 1 -2 30.913 61.826 1.49937 31.8 1.6 1.5 5.8
72 5 3 1 31.012 62.023 1.49507 22.9 1.1 1.1 5.8
73 2 1 -3 31.2 62.4 1.48694 113.8 5.6 5.4 5.8
74 2 1 3 31.258 62.516 1.48448 73.7 3.6 3.5 5.8
75 1 5 1 31.829 63.658 1.46056 124.3 6.1 5.8 5.9
76 4 4 -1 31.915 63.83 1.45703 45.8 2.2 2.2 5.9
77 1 2 3 31.979 63.958 1.45443 299.4 14.6 14.1 5.9
78 2 4 -2 32.303 64.605 1.44141 41.8 2.0 2.0 5.9
79 2 4 2 32.34 64.681 1.43991 39.8 1.9 1.9 5.9
80 5 2 -2 32.799 65.599 1.42197 71.7 3.5 3.4 5.9
81 5 2 2 32.893 65.786 1.41838 54.9 2.7 2.6 5.9
82 3 1 -3 33.099 66.199 1.41053 85.2 4.2 4.0 5.9
83 3 1 3 33.183 66.366 1.40737 114.9 5.6 5.4 5.9
84 3 5 0 33.217 66.435 1.40609 24.8 1.2 1.2 5.9
85 0 3 3 34.661 69.321 1.35443 21.3 1.0 1.0 5.9
86 3 5 -1 34.816 69.632 1.34913 241.2 11.8 11.2 5.9
87 3 2 -3 34.923 69.846 1.34552 21.0 1.0 1.0 5.9
88 7 1 1 35.141 70.282 1.33824 42.1 2.1 2.0 5.9
89 5 4 -1 35.279 70.557 1.3337 30.1 1.5 1.4 5.9
90 7 2 0 35.317 70.634 1.33243 43.2 2.1 2.0 5.9
91 0 6 0 36.521 73.042 1.29433 51.5 2.5 2.4 6.0
92 7 2 -1 36.857 73.713 1.28419 188.1 9.2 8.7 6.0
93 7 2 1 36.919 73.838 1.28234 86.1 4.2 4.0 6.0
94 4 5 -1 37.348 74.696 1.26972 24.7 1.2 1.1 6.0
95 4 5 1 37.383 74.766 1.2687 31.2 1.5 1.4 6.0
96 6 4 0 37.704 75.408 1.25949 237.4 11.6 10.9 6.0
97 2 5 2 37.744 75.488 1.25835 25.0 1.2 1.1 6.0
98 3 3 -3 37.875 75.75 1.25465 35.2 1.7 1.6 6.0
99 3 3 3 37.954 75.908 1.25243 30.0 1.5 1.4 6.0
100 8 0 0 38.358 76.716 1.24124 52.6 2.6 2.4 6.0
101 1 6 -1 38.422 76.845 1.23948 67.0 3.3 3.1 6.0
102 0 4 3 38.78 77.561 1.22981 128.7 6.3 5.9 6.0
103 5 1 -3 38.883 77.766 1.22708 31.1 1.5 1.4 6.0
104 8 1 0 38.936 77.871 1.22569 56.9 2.8 2.6 6.0
105 5 5 0 39.02 78.039 1.22347 61.9 3.0 2.8 6.0
106 1 4 -3 39.12 78.24 1.22083 33.5 1.6 1.5 6.0
107 6 4 -1 39.213 78.426 1.2184 44.1 2.2 2.0 6.0
108 3 5 -2 39.468 78.937 1.21179 144.7 7.1 6.6 6.0
109 3 5 2 39.52 79.041 1.21046 119.4 5.8 5.4 6.0
110 7 3 -1 39.755 79.51 1.20449 25.0 1.2 1.1 6.0
111 6 3 2 39.842 79.683 1.20231 44.7 2.2 2.0 6.0
112 0 0 4 40.257 80.513 1.19199 82.3 4.0 3.7 6.1
113 4 3 -3 40.328 80.656 1.19024 69.8 3.4 3.2 6.1
114 4 3 3 40.432 80.863 1.18771 51.3 2.5 2.3 6.1
115 5 5 1 40.562 81.124 1.18455 24.5 1.2 1.1 6.1
116 5 2 -3 40.603 81.206 1.18356 79.0 3.9 3.6 6.1
117 5 2 3 40.733 81.465 1.18045 65.6 3.2 3.0 6.1
118 1 1 -4 41.158 82.316 1.17039 33.8 1.6 1.5 6.1
119 3 6 -1 41.219 82.438 1.16898 27.8 1.4 1.3 6.1
120 7 2 -2 41.413 82.826 1.16448 92.3 4.5 4.2 6.1
121 7 2 2 41.533 83.066 1.16172 104.0 5.1 4.7 6.1
122 4 6 0 42.156 84.312 1.1477 98.5 4.8 4.4 6.1
123 6 0 3 42.295 84.59 1.14464 54.0 2.6 2.4 6.1
124 1 2 -4 42.859 85.717 1.13245 43.8 2.1 2.0 6.1
125 1 2 4 42.893 85.786 1.13172 22.5 1.1 1.0 6.1
126 1 6 2 42.977 85.955 1.12992 101.8 5.0 4.6 6.1
127 6 4 -2 43.712 87.425 1.11467 54.9 2.7 2.5 6.2
128 6 4 2 43.815 87.629 1.11259 97.7 4.8 4.4 6.2
129 3 1 -4 43.893 87.787 1.11101 25.2 1.2 1.1 6.2
130 3 1 4 43.996 87.991 1.10895 43.0 2.1 1.9 6.2
131 1 5 -3 44.234 88.468 1.1042 65.9 3.2 2.9 6.2
132 4 4 3 44.397 88.793 1.101 45.1 2.2 2.0 6.2
133 8 1 -2 44.894 89.788 1.09136 53.0 2.6 2.4 6.2
134 8 3 -1 44.951 89.903 1.09026 62.4 3.0 2.8 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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