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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BOLTWOODITE
1, f-sklodowskite
K[H(3)O][UO(2)][SiO(4)]
Monoclinic P 2(1) Z = 2
R =0.109 NR =223
23 .10 .1990
Ref.Str.:
Stohl F.V., Smith D.K. (1981)
* Amer. Mineral., 66, 610-625
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.073 alpha = 90.0
b = 7.064 beta = 105.75
c = 6.638 gamma = 90.0
Unit cell volume (cub. angs.) = 319.21
Molar volume ( cub.cm/mol.) = 96.14
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0252 0.25 0.1385 0.9 U = 1.00
2 0.541 0.548 0.153 4.4 K = 1.00
3 0.933 0.25 0.637 0.9 Si = 1.00
4 0.29 0.25 0.147 0.6 O = 1.00
5 0.227 0.75 0.885 3.9 O = 1.00
6 0.022 0.921 0.194 4.7 O = 1.00
7 0.978 0.079 0.806 4.7 O = 1.00
8 0.06 0.25 0.484 0.9 O = 1.00
9 0.294 0.75 0.49 3.7 O = 1.00
10 0.4 0.413 0.689 2.3 H(2)O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0252 0.25 0.1385
2 2 0.541 0.548 0.153
3 3 0.933 0.25 0.637
4 4 0.29 0.25 0.147
5 5 0.227 0.75 0.885
6 6 0.022 0.921 0.194
7 7 0.978 0.079 0.806
8 8 0.06 0.25 0.484
9 9 0.294 0.75 0.49
10 10 0.4 0.413 0.689
11 1 0.9748 0.75 0.8615
12 2 0.459 0.048 0.847
13 3 0.067 0.75 0.363
14 4 0.71 0.75 0.853
15 5 0.773 0.25 0.115
16 6 0.978 0.421 0.806
17 7 0.022 0.579 0.194
18 8 0.94 0.75 0.516
19 9 0.706 0.25 0.51
20 10 0.6 0.913 0.311
X-ray density (g/cm cub.) = 4.36
MU (1/cm) = 960.932 Mass attenuation coefficient (cm**2/g) = 220.385
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 U 3.048 7
1.8584 4
2.3541 6
2.458 7
2.2392 8
1.7479 5
2.458 6
2.3541 7
2 K 3.396 8
2.7471 4
2.8264 5
3.1182 10
2.9535 4
2.7226 5
3.3457 7
3.1477 9
2.7721 10
3 Si 2.268 4
1.6202 7
1.5276 8
1.6202 6
1.598 9
4 O 3.432 7
3.068 6
2.9565 7
3.1026 8
2.9565 6
3.068 7
3.258 9
3.2193 10
5 O 3.432 7
3.0632 6
2.8769 7
2.7882 9
3.1179 10
2.8769 6
3.0632 7
2.7242 8
6 O 3.432 10
3.068 4
3.0632 5
2.7461 7
2.983 8
2.6399 9
2.9565 4
2.8769 5
2.4159 7
2.6528 8
3.2824 10
7 O 3.432 9
2.9565 4
2.8769 5
2.7461 6
2.6528 8
3.068 4
3.0632 5
2.4159 6
2.983 8
2.6399 9
8 O 3.432 8
3.1026 4
2.983 6
2.6528 7
2.6803 10
2.7242 5
2.6528 6
2.983 7
2.5561 9
9 O 3.432 7
2.7882 5
2.6399 6
2.727 10
3.258 4
2.6399 7
2.5561 8
2.9695 10
10 H(2)O 3.6 8
3.5296 4
3.1179 5
2.6803 8
2.727 9
3.2193 4
3.4975 5
3.2824 6
2.9695 9
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 6.497 12.994 0.073 153.24 2 179.1 9653.1
2 0 0 1 6.925 13.85 0.078 134.62 2 104.1 2862.4
3 1 0 -1 8.117 16.233 0.092 97.39 2 92.9 1650.3
4 1 1 0 9.041 18.082 0.102 78.06 4 12.3 46.0
5 0 1 1 9.356 18.711 0.106 72.75 4 98.5 2772.8
6 1 1 -1 10.276 20.552 0.116 59.93 4 76.1 1363.3
7 1 0 1 10.743 21.486 0.121 54.66 2 52.5 295.5
8 1 1 1 12.472 24.943 0.14 40.02 4 128.1 2577.1
9 0 2 0 12.597 25.193 0.142 39.18 2 181.4 2530.4
10 2 0 -1 13.044 26.087 0.147 36.41 2 158.8 1801.1
11 2 0 0 13.08 26.159 0.147 36.2 2 185.0 2430.9
12 1 0 -2 13.706 27.411 0.154 32.79 2 6.6 2.8
13 0 0 2 13.954 27.907 0.157 31.56 2 42.0 109.2
14 1 2 0 14.223 28.446 0.159 30.3 4 186.0 4117.0
15 0 2 1 14.43 28.86 0.162 29.38 4 59.8 411.9
16 2 1 -1 14.516 29.033 0.163 29.01 4 46.6 247.8
17 2 1 0 14.549 29.098 0.163 28.87 4 22.8 58.8
18 1 2 -1 15.058 30.116 0.169 26.82 4 111.5 1309.8
19 1 1 -2 15.119 30.238 0.169 26.59 4 170.9 3050.7
20 0 1 2 15.346 30.692 0.172 25.75 4 177.3 3176.9
21 2 0 -2 16.402 32.804 0.183 22.31 2 21.1 19.6
22 2 0 1 16.489 32.979 0.184 22.05 2 19.2 15.9
23 1 2 1 16.672 33.344 0.186 21.53 4 46.0 178.6
24 1 0 2 17.029 34.058 0.19 20.56 2 30.9 38.6
25 2 1 -2 17.62 35.239 0.196 19.09 4 97.8 716.2
26 2 1 1 17.702 35.403 0.197 18.9 4 85.4 541.3
27 1 1 2 18.21 36.419 0.203 17.76 4 134.4 1259.7
28 2 2 -1 18.291 36.582 0.204 17.59 4 75.1 389.3
29 2 2 0 18.318 36.635 0.204 17.53 4 97.0 647.7
30 1 2 -2 18.785 37.571 0.209 16.58 4 8.8 5.0
31 0 2 2 18.973 37.947 0.211 16.22 4 9.3 5.6
32 3 0 -1 19.144 38.288 0.213 15.91 2 105.5 347.5
33 3 0 0 19.844 39.688 0.22 14.69 2 141.9 581.0
34 3 1 -1 20.218 40.437 0.224 14.09 4 48.5 130.2
35 1 3 0 20.252 40.504 0.225 14.04 4 4.6 1.2
36 1 0 -3 20.392 40.784 0.226 13.82 2 91.6 227.9
37 0 3 1 20.404 40.808 0.226 13.81 4 140.2 1065.6
38 1 3 -1 20.873 41.746 0.231 13.12 4 59.9 185.0
39 3 1 0 20.888 41.776 0.231 13.1 4 64.1 211.5
40 2 2 -2 20.903 41.806 0.232 13.08 4 9.7 4.9
41 2 2 1 20.974 41.948 0.232 12.98 4 28.6 41.6
42 3 0 -2 21.044 42.088 0.233 12.89 2 17.8 8.0
43 0 0 3 21.205 42.41 0.235 12.67 2 154.4 593.1
44 1 1 -3 21.414 42.828 0.237 12.39 4 86.8 366.7
45 1 2 2 21.416 42.832 0.237 12.39 4 32.9 52.8
46 2 0 -3 21.774 43.549 0.241 11.94 2 89.1 185.9
47 2 0 2 21.889 43.778 0.242 11.8 2 65.7 99.8
48 3 1 -2 22.041 44.082 0.244 11.61 4 115.7 610.5
49 1 3 1 22.118 44.235 0.244 11.52 4 102.8 478.1
50 0 1 3 22.196 44.393 0.245 11.43 4 71.3 228.4
51 2 1 -3 22.746 45.492 0.251 10.82 4 103.0 450.4
52 2 1 2 22.857 45.713 0.252 10.7 4 118.3 588.1
53 3 0 1 22.945 45.891 0.253 10.61 2 13.6 3.8
54 3 2 -1 23.194 46.387 0.256 10.35 4 131.0 697.1
55 2 3 -1 23.418 46.835 0.258 10.13 4 76.4 232.2
56 2 3 0 23.439 46.879 0.258 10.11 4 49.1 95.6
57 3 2 0 23.796 47.591 0.262 9.77 4 131.7 665.1
58 1 3 -2 23.823 47.647 0.262 9.74 4 140.4 753.8
59 3 1 1 23.88 47.759 0.263 9.69 4 117.6 525.9
60 0 3 2 23.979 47.958 0.264 9.6 4 171.0 1101.7
61 1 0 3 24.032 48.064 0.264 9.55 2 110.8 230.0
62 1 2 -3 24.272 48.544 0.267 9.34 4 89.0 290.1
63 3 2 -2 24.842 49.684 0.273 8.86 4 34.3 41.0
64 1 1 3 24.935 49.871 0.274 8.78 4 37.6 48.6
65 0 2 3 24.984 49.968 0.274 8.74 4 102.7 361.7
66 3 0 -3 25.06 50.119 0.275 8.68 2 59.5 60.4
67 2 2 -3 25.487 50.975 0.279 8.35 4 40.0 52.5
68 2 2 2 25.589 51.178 0.28 8.28 4 25.2 20.7
69 2 3 -2 25.604 51.207 0.281 8.27 4 130.6 553.5
70 2 3 1 25.665 51.329 0.281 8.22 4 115.0 427.1
71 4 0 -1 25.825 51.65 0.283 8.11 2 175.1 488.1
72 0 4 0 25.86 51.72 0.283 8.08 2 163.1 422.1
73 3 1 -3 25.936 51.873 0.284 8.03 4 124.2 486.4
74 1 3 2 26.044 52.088 0.285 7.95 4 123.2 474.1
75 3 2 1 26.533 53.065 0.29 7.62 4 3.7 0.4
76 4 1 -1 26.684 53.367 0.291 7.53 4 20.3 12.2
77 1 4 0 26.783 53.566 0.292 7.46 4 129.6 491.8
78 4 0 -2 26.833 53.666 0.293 7.43 2 55.5 45.0
79 0 4 1 26.906 53.812 0.294 7.39 4 65.3 123.7
80 4 0 0 26.911 53.823 0.294 7.38 2 118.2 202.3
81 1 4 -1 27.287 54.575 0.298 7.15 4 76.5 164.3
82 1 2 3 27.514 55.028 0.3 7.02 4 109.7 331.8
83 3 3 -1 27.594 55.189 0.301 6.97 4 49.7 67.7
84 4 1 -2 27.67 55.339 0.301 6.93 4 96.8 254.9
85 1 0 -4 27.678 55.356 0.302 6.92 2 118.6 191.2
86 4 1 0 27.746 55.493 0.302 6.89 4 57.6 89.6
87 3 0 2 27.821 55.642 0.303 6.84 2 51.5 35.6
88 3 3 0 28.127 56.254 0.306 6.68 4 38.7 39.2
89 2 0 -4 28.286 56.571 0.308 6.59 2 119.6 185.2
90 1 4 1 28.316 56.632 0.308 6.58 4 32.3 26.9
91 2 0 3 28.418 56.836 0.309 6.52 2 116.4 173.5
92 3 2 -3 28.451 56.902 0.309 6.51 4 59.6 90.8
93 1 1 -4 28.498 56.996 0.31 6.48 4 25.6 16.6
94 1 3 -3 28.551 57.102 0.31 6.45 4 70.5 125.8
95 3 1 2 28.638 57.276 0.311 6.41 4 112.5 318.7
96 0 0 4 28.834 57.668 0.313 6.31 2 130.9 212.4
97 3 3 -2 29.062 58.123 0.315 6.2 4 94.6 217.8
98 2 1 -4 29.094 58.189 0.316 6.19 4 25.1 15.2
99 4 2 -1 29.154 58.309 0.316 6.16 4 115.4 321.9
100 0 3 3 29.189 58.378 0.317 6.14 4 53.1 67.9
101 2 1 3 29.224 58.449 0.317 6.12 4 8.3 1.6
102 2 4 -1 29.413 58.826 0.319 6.04 4 86.2 175.9
103 2 4 0 29.432 58.863 0.319 6.03 4 106.5 268.4
104 0 1 4 29.633 59.266 0.321 5.93 4 44.1 45.4
105 2 3 -3 29.643 59.285 0.321 5.93 4 87.2 177.1
106 2 3 2 29.735 59.469 0.322 5.89 4 112.1 290.6
107 1 4 -2 29.76 59.52 0.322 5.88 4 5.3 0.6
108 4 0 -3 29.788 59.577 0.322 5.87 2 58.4 39.3
109 0 4 2 29.894 59.787 0.324 5.82 4 6.8 1.1
110 4 0 1 29.935 59.87 0.324 5.8 2 16.5 3.1
111 4 2 -2 30.087 60.174 0.325 5.74 4 38.6 33.5
112 4 2 0 30.16 60.319 0.326 5.71 4 91.5 187.6
113 4 1 -3 30.572 61.145 0.33 5.54 4 126.0 345.0
114 3 0 -4 30.588 61.176 0.33 5.53 2 97.8 103.8
115 3 3 1 30.592 61.184 0.33 5.53 4 109.6 260.5
116 4 1 1 30.717 61.433 0.332 5.48 4 126.1 341.9
117 1 2 -4 30.874 61.748 0.333 5.42 4 129.5 356.7
118 3 2 2 31.007 62.015 0.334 5.36 4 50.6 53.9
119 2 4 -2 31.305 62.61 0.337 5.25 4 8.5 1.5
120 2 4 1 31.359 62.717 0.338 5.23 4 25.8 13.7
121 3 1 -4 31.36 62.72 0.338 5.23 4 8.9 1.6
122 2 2 -4 31.442 62.885 0.339 5.2 4 97.2 192.8
123 1 3 3 31.491 62.982 0.339 5.18 4 21.9 9.7
124 2 2 3 31.567 63.133 0.34 5.16 4 83.9 142.5
125 1 0 4 31.629 63.258 0.34 5.14 2 85.2 73.1
126 1 4 2 31.693 63.386 0.341 5.11 4 22.5 10.2
127 0 2 4 31.957 63.915 0.344 5.02 4 108.4 231.7
128 3 3 -3 32.356 64.712 0.347 4.89 4 101.6 198.0
129 1 1 4 32.387 64.774 0.348 4.88 4 53.0 53.8
130 4 2 -3 32.858 65.716 0.352 4.73 4 27.7 14.2
131 4 2 1 32.997 65.993 0.354 4.69 4 2.2 0.1
132 4 3 -1 33.009 66.019 0.354 4.68 4 20.6 7.8
133 5 0 -1 33.06 66.12 0.354 4.67 2 117.8 127.2
134 3 4 -1 33.073 66.146 0.354 4.66 4 96.7 171.2
135 5 0 -2 33.471 66.942 0.358 4.55 2 29.5 7.8
136 3 4 0 33.552 67.105 0.359 4.52 4 99.8 176.8
137 3 2 -4 33.616 67.232 0.359 4.5 4 105.4 196.5
138 5 1 -1 33.801 67.602 0.361 4.45 4 3.7 0.2
139 1 5 0 33.837 67.674 0.361 4.44 4 14.8 3.8
140 4 3 -2 33.881 67.761 0.362 4.43 4 114.6 228.4
141 1 4 -3 33.936 67.872 0.362 4.42 4 62.8 68.4
142 0 5 1 33.944 67.889 0.362 4.41 4 62.1 66.8
143 4 3 0 33.949 67.898 0.362 4.41 4 72.4 90.9
144 3 0 3 34.001 68.003 0.363 4.4 2 113.6 111.4
145 5 1 -2 34.208 68.415 0.365 4.34 4 68.9 81.0
146 1 5 -1 34.277 68.555 0.366 4.33 4 57.2 55.6
147 4 0 -4 34.385 68.77 0.367 4.3 2 113.4 108.4
148 3 4 -2 34.4 68.8 0.367 4.29 4 19.4 6.4
149 5 0 0 34.455 68.911 0.367 4.28 2 63.8 34.2
150 0 4 3 34.516 69.032 0.368 4.26 4 99.9 166.9
151 4 0 2 34.588 69.176 0.368 4.25 2 77.2 49.7
152 1 2 4 34.608 69.216 0.369 4.24 4 101.1 170.3
153 1 3 -4 34.62 69.24 0.369 4.24 4 33.3 18.5
154 3 1 3 34.732 69.465 0.37 4.21 4 13.0 2.8
155 3 3 2 34.746 69.492 0.37 4.21 4 100.8 167.7
156 2 4 -3 34.931 69.861 0.372 4.16 4 49.8 40.5
157 2 4 2 35.015 70.029 0.372 4.14 4 35.7 20.8
158 4 1 -4 35.112 70.224 0.373 4.12 4 25.9 10.9
159 2 3 -4 35.157 70.313 0.374 4.11 4 31.6 16.1
160 5 1 0 35.182 70.364 0.374 4.1 4 66.4 71.0
161 1 5 1 35.184 70.367 0.374 4.1 4 90.7 132.5
162 2 3 3 35.274 70.548 0.375 4.08 4 1.6 0.0
163 4 1 2 35.314 70.627 0.375 4.07 4 77.3 95.5
164 1 0 -5 35.619 71.239 0.378 4.0 2 43.9 15.1
165 0 3 4 35.644 71.288 0.378 4.0 4 48.6 37.0
166 5 0 -3 35.658 71.316 0.378 3.99 2 17.1 2.3
167 2 0 -5 35.703 71.405 0.379 3.98 2 62.6 30.7
168 3 4 1 35.803 71.607 0.38 3.96 4 6.0 0.6
169 2 0 4 35.853 71.705 0.38 3.95 2 88.3 60.5
170 5 2 -1 35.98 71.959 0.381 3.92 4 123.5 234.9
171 2 5 -1 36.163 72.326 0.383 3.89 4 33.3 17.0
172 2 5 0 36.179 72.359 0.383 3.88 4 16.0 3.9
173 1 1 -5 36.336 72.672 0.385 3.85 4 75.8 86.8
174 5 1 -3 36.374 72.748 0.385 3.84 4 118.7 212.4
175 5 2 -2 36.375 72.75 0.385 3.84 4 51.3 39.6
176 2 1 -5 36.419 72.837 0.385 3.83 4 51.3 39.6
177 1 5 -2 36.475 72.95 0.386 3.82 4 119.3 213.6
178 4 3 -3 36.501 73.001 0.386 3.82 4 121.9 222.5
179 2 1 4 36.567 73.135 0.387 3.8 4 42.4 26.8
180 0 5 2 36.595 73.191 0.387 3.8 4 109.2 177.6
181 4 3 1 36.633 73.265 0.387 3.79 4 124.6 231.2
182 1 4 3 36.637 73.273 0.387 3.79 4 81.6 99.0
183 3 2 3 36.887 73.773 0.39 3.74 4 117.0 201.2
184 0 0 5 37.073 74.147 0.391 3.71 2 38.7 10.9
185 3 3 -4 37.225 74.449 0.393 3.68 4 14.7 3.1
186 4 2 -4 37.257 74.514 0.393 3.67 4 90.1 117.0
187 3 0 -5 37.32 74.639 0.394 3.66 2 71.0 36.2
188 5 2 0 37.325 74.651 0.394 3.66 4 52.2 39.1
189 3 4 -3 37.444 74.888 0.395 3.64 4 45.7 29.8
190 4 2 2 37.454 74.908 0.395 3.64 4 52.9 40.0
191 5 0 1 37.563 75.126 0.396 3.62 2 7.5 0.4
192 0 1 5 37.779 75.559 0.398 3.58 4 81.3 92.9
193 2 5 -2 37.879 75.758 0.399 3.56 4 75.6 79.9
194 2 5 1 37.928 75.856 0.399 3.56 4 64.1 57.4
195 3 1 -5 38.024 76.048 0.4 3.54 4 50.4 35.3
196 4 4 -1 38.058 76.115 0.4 3.53 4 112.4 175.4
197 1 3 4 38.176 76.353 0.401 3.52 4 52.0 37.3
198 1 5 2 38.235 76.47 0.402 3.51 4 103.2 146.6
199 5 1 1 38.266 76.532 0.402 3.5 4 98.9 134.4
200 1 2 -5 38.454 76.909 0.404 3.47 4 59.8 48.7
201 5 2 -3 38.492 76.983 0.404 3.47 4 14.0 2.7
202 2 2 -5 38.535 77.071 0.404 3.46 4 57.6 45.1
203 2 2 4 38.681 77.363 0.406 3.44 4 76.5 79.0
204 4 4 -2 38.88 77.76 0.407 3.41 4 39.2 20.5
205 4 4 0 38.945 77.89 0.408 3.4 4 85.0 96.4
206 5 0 -4 39.497 78.994 0.413 3.32 2 76.7 38.4
207 5 3 -1 39.501 79.001 0.413 3.32 4 16.2 3.4
208 3 5 -1 39.512 79.025 0.413 3.32 4 34.3 15.3
209 1 4 -4 39.583 79.165 0.414 3.31 4 99.6 129.0
210 3 4 2 39.702 79.404 0.415 3.29 4 35.4 16.2
211 0 2 5 39.872 79.744 0.416 3.27 4 40.8 21.3
212 5 3 -2 39.884 79.768 0.416 3.27 4 60.9 47.5
213 3 5 0 39.96 79.92 0.417 3.26 4 43.0 23.6
214 1 0 5 40.004 80.008 0.417 3.25 2 7.0 0.3
215 2 4 -4 40.094 80.188 0.418 3.24 4 97.0 119.8
216 3 2 -5 40.113 80.225 0.418 3.24 4 85.0 92.0
217 5 1 -4 40.19 80.379 0.419 3.23 4 33.5 14.2
218 2 4 3 40.206 80.413 0.419 3.23 4 87.3 96.6
219 1 5 -3 40.32 80.639 0.42 3.22 4 65.2 53.7
220 5 2 1 40.351 80.702 0.42 3.21 4 13.4 2.3
221 3 3 3 40.381 80.762 0.421 3.21 4 15.2 2.9
222 4 0 -5 40.405 80.81 0.421 3.21 2 97.0 59.2
223 0 4 4 40.561 81.122 0.422 3.19 4 102.4 131.2
224 4 0 3 40.661 81.322 0.423 3.18 2 120.9 91.1
225 1 1 5 40.695 81.389 0.423 3.17 4 80.1 79.9
226 4 3 -4 40.742 81.484 0.424 3.17 4 12.8 2.0
227 3 5 -2 40.756 81.512 0.424 3.16 4 91.3 103.5
228 5 3 0 40.808 81.617 0.424 3.16 4 56.1 39.1
229 0 6 0 40.863 81.727 0.425 3.15 2 131.7 107.3
230 0 5 3 40.865 81.731 0.425 3.15 4 45.6 25.7
231 4 3 2 40.934 81.867 0.425 3.15 4 73.6 66.8
232 6 0 -2 40.987 81.975 0.426 3.14 2 60.5 22.6
233 6 0 -1 41.035 82.071 0.426 3.13 2 110.5 75.1
234 4 1 -5 41.094 82.188 0.427 3.13 4 46.5 26.6
235 2 5 -3 41.257 82.515 0.428 3.11 4 68.7 57.6
236 2 5 2 41.337 82.674 0.429 3.1 4 83.1 84.1
237 4 1 3 41.349 82.698 0.429 3.1 4 22.6 6.2
238 3 0 4 41.363 82.726 0.429 3.1 2 62.5 23.7
239 4 4 -3 41.384 82.768 0.429 3.1 4 28.6 10.0
240 4 4 1 41.511 83.023 0.43 3.09 4 6.1 0.4
241 1 6 0 41.603 83.207 0.431 3.08 4 104.5 131.9
242 6 1 -2 41.674 83.349 0.432 3.07 4 42.1 21.3
243 0 6 1 41.703 83.407 0.432 3.07 4 50.1 30.3
244 6 1 -1 41.722 83.444 0.432 3.06 4 7.3 0.6
245 1 3 -5 41.911 83.823 0.434 3.05 4 63.2 47.8
246 5 3 -3 41.948 83.896 0.434 3.04 4 97.6 113.8
247 2 3 -5 41.991 83.982 0.434 3.04 4 53.8 34.6
248 1 6 -1 42.015 84.029 0.434 3.04 4 64.0 48.9
249 3 1 4 42.049 84.098 0.435 3.03 4 53.6 34.2
250 3 4 -4 42.084 84.167 0.435 3.03 4 82.3 80.7
251 3 5 1 42.087 84.174 0.435 3.03 4 93.0 102.8
252 2 3 4 42.134 84.268 0.435 3.03 4 51.2 31.2
253 5 2 -4 42.252 84.504 0.436 3.02 4 81.7 79.1
254 5 0 2 42.263 84.525 0.437 3.01 2 63.8 24.1
255 6 0 -3 42.616 85.232 0.44 2.98 2 15.9 1.5
256 1 2 5 42.752 85.505 0.441 2.97 4 12.3 1.8
257 6 0 0 42.759 85.518 0.441 2.97 2 38.3 8.6
258 1 6 1 42.867 85.733 0.442 2.96 4 32.5 12.3
259 1 5 3 42.884 85.769 0.442 2.96 4 24.0 6.7
260 5 1 2 42.946 85.893 0.442 2.96 4 48.4 27.2
261 1 4 4 43.008 86.016 0.443 2.95 4 82.4 78.7
262 4 2 -5 43.148 86.297 0.444 2.94 4 89.4 92.3
263 6 1 -3 43.299 86.598 0.445 2.93 4 93.5 100.6
264 0 3 5 43.305 86.609 0.445 2.93 4 85.1 83.4
265 4 2 3 43.402 86.804 0.446 2.92 4 99.0 112.6
266 6 1 0 43.442 86.883 0.446 2.92 4 63.0 45.5
267 3 3 -5 43.542 87.084 0.447 2.91 4 48.8 27.3
268 3 5 -3 43.662 87.325 0.448 2.91 4 92.2 96.9
269 6 2 -2 43.725 87.45 0.449 2.9 4 40.6 18.8
270 6 2 -1 43.773 87.545 0.449 2.9 4 89.4 90.9
271 5 3 1 43.777 87.555 0.449 2.9 4 95.1 102.9
272 2 6 -1 43.796 87.592 0.449 2.9 4 76.2 66.1
273 2 6 0 43.812 87.624 0.449 2.9 4 93.2 98.7
274 1 6 -2 44.094 88.188 0.452 2.88 4 1.8 0.0
275 3 2 4 44.098 88.195 0.452 2.88 4 69.9 55.1
276 2 0 -6 44.178 88.356 0.452 2.87 2 32.3 5.9
277 0 6 2 44.209 88.418 0.453 2.87 4 17.0 3.3
278 4 5 -1 44.257 88.513 0.453 2.87 4 16.0 2.9
279 5 4 -1 44.303 88.606 0.453 2.87 4 98.7 109.6
280 2 0 5 44.352 88.704 0.454 2.86 2 13.2 1.0
281 1 0 -6 44.523 89.047 0.455 2.85 2 35.1 6.9
282 5 4 -2 44.68 89.36 0.456 2.84 4 38.2 16.3
283 2 1 -6 44.859 89.719 0.458 2.84 4 86.7 83.6
284 5 0 -5 44.905 89.81 0.458 2.83 2 81.0 36.5
285 5 2 2 44.992 89.984 0.459 2.83 4 64.5 46.1
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 6.497 12.994 6.80745 9653.1 100.0 100.0 5.6
2 0 0 1 6.925 13.85 6.38878 2862.4 29.7 29.6 5.6
3 1 0 -1 8.117 16.233 5.45574 1650.3 17.1 17.1 5.6
4 0 1 1 9.356 18.711 4.73833 2772.8 28.7 28.6 5.6
5 1 1 -1 10.276 20.552 4.31788 1363.3 14.1 14.1 5.6
6 1 0 1 10.743 21.486 4.13232 295.5 3.1 3.0 5.6
7 1 1 1 12.472 24.943 3.56685 2577.1 26.7 26.5 5.6
8 0 2 0 12.597 25.193 3.532 2530.4 26.2 26.0 5.6
9 2 0 -1 13.044 26.087 3.41293 1801.1 18.7 18.5 5.6
10 2 0 0 13.08 26.159 3.40372 2430.9 25.2 25.0 5.6
11 0 0 2 13.954 27.907 3.19439 109.2 1.1 1.1 5.6
12 1 2 0 14.223 28.446 3.13513 4117.0 42.6 42.2 5.6
13 0 2 1 14.43 28.86 3.09107 411.9 4.3 4.2 5.6
14 2 1 -1 14.516 29.033 3.07306 247.8 2.6 2.5 5.6
15 1 2 -1 15.058 30.116 2.96491 1309.8 13.6 13.4 5.6
16 1 1 -2 15.119 30.238 2.95329 3050.7 31.6 31.2 5.6
17 0 1 2 15.346 30.692 2.91062 3176.9 32.9 32.5 5.6
18 1 2 1 16.672 33.344 2.6849 178.6 1.9 1.8 5.7
19 2 1 -2 17.62 35.239 2.54472 716.2 7.4 7.3 5.7
20 2 1 1 17.702 35.403 2.5333 541.3 5.6 5.5 5.7
21 1 1 2 18.21 36.419 2.46494 1259.7 13.0 12.8 5.7
22 2 2 0 18.318 36.635 2.45089 1036.9 10.7 10.6 5.7
23 3 0 -1 19.144 38.288 2.34879 347.5 3.6 3.5 5.7
24 3 0 0 19.844 39.688 2.26915 581.0 6.0 5.9 5.7
25 3 1 -1 20.218 40.437 2.22882 130.2 1.3 1.3 5.7
26 0 3 1 20.404 40.808 2.20938 1293.5 13.4 13.1 5.7
27 3 1 0 20.888 41.776 2.16042 401.4 4.2 4.1 5.7
28 0 0 3 21.205 42.41 2.12959 593.1 6.1 6.0 5.7
29 1 1 -3 21.414 42.828 2.10973 419.4 4.3 4.2 5.7
30 2 0 -3 21.774 43.549 2.07649 185.9 1.9 1.9 5.7
31 2 0 2 21.889 43.778 2.06616 99.8 1.0 1.0 5.7
32 3 1 -2 22.041 44.082 2.05258 610.5 6.3 6.2 5.7
33 1 3 1 22.118 44.235 2.04584 478.1 5.0 4.8 5.7
34 0 1 3 22.196 44.393 2.03895 228.4 2.4 2.3 5.7
35 2 1 -3 22.746 45.492 1.99221 450.4 4.7 4.5 5.7
36 2 1 2 22.857 45.713 1.98307 588.1 6.1 5.9 5.7
37 3 2 -1 23.194 46.387 1.95581 697.1 7.2 7.0 5.7
38 2 3 -1 23.418 46.835 1.93815 327.8 3.4 3.3 5.7
39 1 3 -2 23.823 47.647 1.90702 1418.9 14.7 14.3 5.7
40 3 1 1 23.88 47.759 1.90278 525.9 5.4 5.3 5.7
41 0 3 2 23.979 47.958 1.89538 1101.7 11.4 11.1 5.7
42 1 0 3 24.032 48.064 1.89142 230.0 2.4 2.3 5.7
43 1 2 -3 24.272 48.544 1.87386 290.1 3.0 2.9 5.7
44 0 2 3 24.984 49.968 1.82374 361.7 3.7 3.6 5.7
45 2 3 -2 25.604 51.207 1.78246 574.1 5.9 5.8 5.8
46 2 3 1 25.665 51.329 1.77852 427.1 4.4 4.3 5.8
47 4 0 -1 25.825 51.65 1.76823 488.1 5.1 4.9 5.8
48 0 4 0 25.86 51.72 1.766 422.1 4.4 4.2 5.8
49 3 1 -3 25.936 51.873 1.76115 486.4 5.0 4.9 5.8
50 1 3 2 26.044 52.088 1.75438 474.1 4.9 4.7 5.8
51 1 4 0 26.783 53.566 1.70941 491.8 5.1 4.9 5.8
52 4 0 0 26.911 53.823 1.70186 326.0 3.4 3.3 5.8
53 1 4 -1 27.287 54.575 1.68017 164.3 1.7 1.6 5.8
54 1 2 3 27.514 55.028 1.66739 331.8 3.4 3.3 5.8
55 4 1 -2 27.67 55.339 1.65875 446.0 4.6 4.4 5.8
56 2 0 -4 28.286 56.571 1.62552 185.2 1.9 1.8 5.8
57 2 0 3 28.418 56.836 1.61858 173.5 1.8 1.7 5.8
58 1 3 -3 28.551 57.102 1.61167 125.8 1.3 1.3 5.8
59 3 1 2 28.638 57.276 1.60717 318.7 3.3 3.2 5.8
60 0 0 4 28.834 57.668 1.59719 212.4 2.2 2.1 5.8
61 3 3 -2 29.062 58.123 1.58575 217.8 2.3 2.2 5.8
62 4 2 -1 29.154 58.309 1.58115 321.9 3.3 3.2 5.8
63 2 4 0 29.432 58.863 1.56757 444.4 4.6 4.4 5.8
64 2 3 -3 29.643 59.285 1.55741 222.5 2.3 2.2 5.8
65 2 3 2 29.735 59.469 1.55304 291.2 3.0 2.9 5.8
66 4 2 0 30.16 60.319 1.53316 187.6 1.9 1.9 5.8
67 4 1 -3 30.572 61.145 1.51443 709.3 7.3 7.0 5.8
68 4 1 1 30.717 61.433 1.50801 341.9 3.5 3.4 5.8
69 1 2 -4 30.874 61.748 1.50108 356.7 3.7 3.5 5.8
70 2 2 -4 31.442 62.885 1.47665 192.8 2.0 1.9 5.9
71 2 2 3 31.567 63.133 1.47143 142.5 1.5 1.4 5.9
72 0 2 4 31.957 63.915 1.45531 231.7 2.4 2.3 5.9
73 3 3 -3 32.356 64.712 1.43929 198.0 2.1 1.9 5.9
74 3 4 -1 33.073 66.146 1.41153 298.4 3.1 2.9 5.9
75 3 4 0 33.552 67.105 1.39367 176.8 1.8 1.7 5.9
76 3 2 -4 33.616 67.232 1.39133 196.5 2.0 1.9 5.9
77 4 3 -2 33.881 67.761 1.38176 228.4 2.4 2.2 5.9
78 4 3 0 33.949 67.898 1.37931 226.1 2.3 2.2 5.9
79 3 0 3 34.001 68.003 1.37744 111.4 1.2 1.1 5.9
80 4 0 -4 34.385 68.77 1.36394 114.8 1.2 1.1 5.9
81 0 4 3 34.516 69.032 1.35939 166.9 1.7 1.6 5.9
82 1 2 4 34.608 69.216 1.35623 238.5 2.5 2.3 5.9
83 3 3 2 34.746 69.492 1.35152 170.5 1.8 1.7 5.9
84 1 5 1 35.184 70.367 1.33683 219.7 2.3 2.1 5.9
85 5 2 -1 35.98 71.959 1.31112 234.9 2.4 2.3 5.9
86 5 1 -3 36.374 72.748 1.29884 252.0 2.6 2.4 6.0
87 4 3 -3 36.501 73.001 1.29496 436.0 4.5 4.2 6.0
88 0 5 2 36.595 73.191 1.29207 204.4 2.1 2.0 6.0
89 4 3 1 36.633 73.265 1.29094 330.1 3.4 3.2 6.0
90 3 2 3 36.887 73.773 1.2833 201.2 2.1 1.9 6.0
91 4 2 -4 37.257 74.514 1.27236 117.0 1.2 1.1 6.0
92 4 4 -1 38.058 76.115 1.24954 175.4 1.8 1.7 6.0
93 1 5 2 38.235 76.47 1.24462 146.6 1.5 1.4 6.0
94 5 1 1 38.266 76.532 1.24377 134.4 1.4 1.3 6.0
95 1 4 -4 39.583 79.165 1.20887 129.0 1.3 1.2 6.0
96 2 4 -4 40.094 80.188 1.196 211.8 2.2 2.0 6.0
97 2 4 3 40.206 80.413 1.19323 110.8 1.1 1.1 6.0
98 0 4 4 40.561 81.122 1.18458 131.2 1.4 1.2 6.1
99 3 5 -2 40.756 81.512 1.17989 105.5 1.1 1.0 6.1
100 0 6 0 40.863 81.727 1.17733 133.0 1.4 1.3 6.1
101 2 5 2 41.337 82.674 1.16623 114.1 1.2 1.1 6.1
102 1 6 0 41.603 83.207 1.16011 131.9 1.4 1.2 6.1
103 5 3 -3 41.948 83.896 1.15232 113.8 1.2 1.1 6.1
104 3 5 1 42.087 84.174 1.14923 183.5 1.9 1.7 6.1
105 5 2 -4 42.252 84.504 1.14558 103.1 1.1 1.0 6.1
106 6 1 -3 43.299 86.598 1.12317 184.0 1.9 1.7 6.1
107 4 2 3 43.402 86.804 1.12104 112.6 1.2 1.1 6.1
108 3 5 -3 43.662 87.325 1.11569 96.9 1.0 0.9 6.2
109 5 3 1 43.777 87.555 1.11335 260.0 2.7 2.4 6.2
110 2 6 0 43.812 87.624 1.11265 98.7 1.0 0.9 6.2
111 5 4 -1 44.303 88.606 1.10283 109.6 1.1 1.0 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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