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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STUDTITE
1, f-studtite
UO(4).4H(2)O
Monoclinic C 2/c Z = 4
R =0.0366 NR =1398
24 .10 .1903
Ref.Str.:
P.C. Burns, K.-A. Hughes (2003)
* Amer. Mineral., 88, 1165-1168
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 14.068 alpha = 90.0
b = 6.721 beta = 123.36
c = 8.428 gamma = 90.0
Unit cell volume (cub. angs.) = 665.61
Molar volume ( cub.cm/mol.) = 100.23
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.0 0.0 U = 1.00
2 0.0073 0.751 0.074 0.0 O = 1.00
3 0.0623 0.114 0.3081 0.0 O = 1.00
4 0.2026 0.038 0.179 0.0 O = 1.00
5 0.8435 0.476 0.061 0.0 O = 1.00
6 0.255 0.03 0.317 0.0 H = 1.00
7 0.242 0.94 0.15 0.0 H = 1.00
8 0.898 0.56 0.06 0.0 H = 1.00
9 0.869 0.338 0.08 0.0 H = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.0073 0.751 0.074
3 3 0.0623 0.114 0.3081
4 4 0.2026 0.038 0.179
5 5 0.8435 0.476 0.061
6 6 0.255 0.03 0.317
7 7 0.242 0.94 0.15
8 8 0.898 0.56 0.06
9 9 0.869 0.338 0.08
10 2 0.9927 0.249 0.926
11 3 0.9377 0.886 0.6919
12 4 0.7974 0.962 0.821
13 5 0.1565 0.524 0.939
14 6 0.745 0.97 0.683
15 7 0.758 0.06 0.85
16 8 0.102 0.44 0.94
17 9 0.131 0.662 0.92
18 1 0.0 0.0 0.5
19 2 0.0073 0.249 0.574
20 3 0.0623 0.886 0.8081
21 4 0.2026 0.962 0.679
22 5 0.8435 0.524 0.561
23 6 0.255 0.97 0.817
24 7 0.242 0.06 0.65
25 8 0.898 0.44 0.56
26 9 0.869 0.662 0.58
27 2 0.9927 0.751 0.426
28 3 0.9377 0.114 0.1919
29 4 0.7974 0.038 0.321
30 5 0.1565 0.476 0.439
31 6 0.745 0.03 0.183
32 7 0.758 0.94 0.35
33 8 0.102 0.56 0.44
34 9 0.131 0.338 0.42
35 1 0.5 0.5 0.5
36 2 0.5073 0.749 0.574
37 3 0.5623 0.386 0.8081
38 4 0.7026 0.462 0.679
39 5 0.3435 0.024 0.561
40 6 0.755 0.47 0.817
41 7 0.742 0.56 0.65
42 8 0.398 0.94 0.56
43 9 0.369 0.162 0.58
44 2 0.4927 0.251 0.426
45 3 0.4377 0.614 0.1919
46 4 0.2974 0.538 0.321
47 5 0.6565 0.976 0.439
48 6 0.245 0.53 0.183
49 7 0.258 0.44 0.35
50 8 0.602 0.06 0.44
51 9 0.631 0.838 0.42
52 1 0.5 0.5 0.0
53 2 0.5073 0.251 0.074
54 3 0.5623 0.614 0.3081
55 4 0.7026 0.538 0.179
56 5 0.3435 0.976 0.061
57 6 0.755 0.53 0.317
58 7 0.742 0.44 0.15
59 8 0.398 0.06 0.06
60 9 0.369 0.838 0.08
61 2 0.4927 0.749 0.926
62 3 0.4377 0.386 0.6919
63 4 0.2974 0.462 0.821
64 5 0.6565 0.024 0.939
65 6 0.245 0.47 0.683
66 7 0.258 0.56 0.85
67 8 0.602 0.94 0.94
68 9 0.631 0.162 0.92
X-ray density (g/cm cub.) = 3.73
MU (1/cm) = 850.557 Mass attenuation coefficient (cm**2/g) = 227.92
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 U 2.88 8
1.7691 2
2.3654 3
2.395 4
1.7691 2
2.3654 3
2.395 4
2.3515 3
2.3515 3
2 O 3.264 9
2.9606 3
3.0625 4
2.9087 5
2.947 3
2.8902 4
2.8898 3
3.0844 2
2.9947 3
3.1913 5
3 O 3.264 8
2.9606 2
2.7753 4
2.947 2
2.8898 2
2.8153 4
2.9947 2
1.4642 3
2.6991 5
4 O 3.264 6
3.0625 2
2.7753 3
2.8902 2
2.8153 3
2.6991 5
2.6943 5
5 O 3.264 5
2.9087 2
3.1913 2
2.6991 3
2.6991 4
2.6943 4
6 H 1.632 1
0.9778 4
7 H 1.632 1
0.9746 4
8 H 1.632 1
0.9559 5
9 H 1.632 1
0.9754 5
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 2 0 0 7.533 15.067 0.085 113.4 2 345.5 6109.9
2 1 1 0 7.587 15.174 0.086 111.78 4 347.2 12163.9
3 1 1 -1 8.435 16.87 0.095 90.01 4 26.7 58.1
4 2 0 -2 10.551 21.102 0.119 56.74 2 298.8 2287.0
5 1 1 1 11.135 22.269 0.125 50.73 4 0.5 0.0
6 3 1 -1 11.554 23.109 0.13 46.96 4 2.2 0.2
7 0 0 2 12.641 25.282 0.142 38.9 2 306.9 1653.3
8 1 1 -2 12.861 25.723 0.144 37.5 4 308.6 3224.4
9 3 1 0 13.157 26.314 0.148 35.75 4 336.7 3659.6
10 3 1 -2 13.23 26.459 0.149 35.33 4 320.4 3276.0
11 0 2 0 13.251 26.502 0.149 35.21 2 368.1 2153.5
12 4 0 -2 13.379 26.758 0.15 34.5 2 242.9 918.9
13 0 2 1 14.714 29.428 0.165 28.18 4 59.2 89.3
14 2 2 -1 14.878 29.756 0.167 27.52 4 12.7 4.0
15 4 0 0 15.201 30.402 0.17 26.28 2 331.1 1300.6
16 2 2 0 15.311 30.622 0.171 25.88 4 191.5 856.8
17 1 1 2 16.546 33.091 0.185 21.89 4 180.9 647.1
18 2 2 -2 17.06 34.12 0.19 20.48 4 256.7 1218.2
19 3 1 1 17.2 34.4 0.192 20.12 4 40.2 29.3
20 3 1 -3 17.314 34.629 0.193 19.83 4 85.4 130.5
21 5 1 -2 17.415 34.83 0.194 19.58 4 217.7 838.0
22 5 1 -1 17.765 35.531 0.198 18.75 4 10.0 1.7
23 2 0 2 18.111 36.221 0.202 17.97 2 339.0 932.3
24 2 2 1 18.193 36.385 0.203 17.8 4 23.0 8.5
25 0 2 2 18.476 36.952 0.206 17.2 4 257.4 1029.1
26 1 1 -3 18.58 37.16 0.207 16.99 4 52.1 41.7
27 4 2 -1 18.598 37.196 0.207 16.95 4 44.7 30.6
28 4 2 -2 19.008 38.016 0.211 16.16 4 202.5 598.0
29 6 0 -2 19.18 38.36 0.213 15.84 2 396.4 1123.5
30 5 1 -3 19.37 38.74 0.215 15.5 4 64.3 57.8
31 5 1 0 20.318 40.635 0.225 13.94 4 304.2 1164.3
32 4 2 0 20.382 40.763 0.226 13.84 4 228.5 652.5
33 1 3 0 20.488 40.977 0.227 13.68 4 245.6 745.2
34 1 3 -1 20.843 41.686 0.231 13.17 4 65.1 50.3
35 2 2 -3 21.148 42.295 0.234 12.75 4 22.6 5.9
36 4 0 -4 21.482 42.965 0.238 12.3 2 368.6 754.6
37 4 2 -3 21.506 43.012 0.238 12.27 4 42.2 19.7
38 1 3 1 22.168 44.336 0.245 11.46 4 49.0 24.9
39 3 3 -1 22.399 44.797 0.247 11.2 4 16.4 2.7
40 2 0 -4 22.435 44.871 0.248 11.16 2 238.7 287.0
41 3 1 2 22.547 45.094 0.249 11.03 4 338.2 1139.6
42 3 1 -4 22.684 45.367 0.25 10.88 4 338.3 1124.9
43 1 1 3 22.694 45.388 0.25 10.87 4 45.7 20.5
44 2 2 2 22.72 45.44 0.251 10.85 4 268.9 708.0
45 5 1 -4 23.135 46.27 0.255 10.41 4 244.6 562.3
46 1 3 -2 23.155 46.311 0.255 10.39 4 307.8 888.8
47 6 0 0 23.161 46.322 0.255 10.38 2 313.3 460.1
48 3 3 0 23.334 46.668 0.257 10.21 4 267.9 661.8
49 6 0 -4 23.339 46.679 0.257 10.21 2 274.9 348.1
50 3 3 -2 23.379 46.757 0.258 10.17 4 313.0 899.4
51 0 2 3 23.601 47.202 0.26 9.95 4 33.7 10.2
52 6 2 -2 23.615 47.231 0.26 9.94 4 293.3 772.1
53 7 1 -2 23.668 47.337 0.261 9.89 4 301.4 810.7
54 4 2 1 23.952 47.905 0.264 9.62 4 20.1 3.5
55 7 1 -3 24.029 48.057 0.264 9.55 4 14.6 1.8
56 6 2 -1 24.493 48.987 0.269 9.15 4 17.3 2.5
57 5 1 1 24.5 49.001 0.269 9.14 4 25.9 5.6
58 6 2 -3 24.579 49.158 0.27 9.07 4 6.0 0.3
59 1 1 -4 24.913 49.826 0.273 8.8 4 273.4 593.9
60 4 0 2 25.085 50.17 0.275 8.66 2 278.0 302.3
61 7 1 -1 25.138 50.276 0.276 8.62 4 25.4 5.0
62 1 3 2 25.562 51.124 0.28 8.3 4 214.5 344.8
63 4 2 -4 25.597 51.194 0.28 8.27 4 313.9 735.9
64 0 0 4 25.956 51.912 0.284 8.02 2 242.7 213.1
65 3 3 1 26.026 52.052 0.285 7.97 4 4.9 0.2
66 3 3 -3 26.108 52.216 0.286 7.91 4 14.6 1.5
67 7 1 -4 26.162 52.324 0.286 7.87 4 270.4 519.7
68 5 3 -2 26.18 52.361 0.286 7.86 4 224.8 358.6
69 8 0 -2 26.328 52.656 0.288 7.76 2 284.0 282.6
70 5 3 -1 26.434 52.869 0.289 7.69 4 16.5 1.9
71 2 2 -4 26.435 52.87 0.289 7.69 4 226.2 355.1
72 1 3 -3 27.035 54.07 0.295 7.31 4 36.8 8.9
73 6 2 0 27.08 54.16 0.295 7.28 4 249.3 408.3
74 6 2 -4 27.239 54.478 0.297 7.18 4 242.3 380.6
75 0 4 0 27.286 54.572 0.298 7.15 2 302.9 296.3
76 8 0 -4 27.567 55.134 0.3 6.99 2 246.5 191.7
77 5 3 -3 27.631 55.261 0.301 6.95 4 4.4 0.1
78 0 4 1 28.119 56.239 0.306 6.68 4 27.2 4.4
79 5 1 -5 28.158 56.315 0.306 6.66 4 7.3 0.3
80 2 4 -1 28.217 56.433 0.307 6.63 4 26.1 4.1
81 7 1 0 28.227 56.454 0.307 6.62 4 174.2 181.5
82 2 2 3 28.303 56.607 0.308 6.58 4 12.0 0.9
83 5 3 0 28.361 56.721 0.308 6.55 4 274.8 446.8
84 2 4 0 28.477 56.955 0.31 6.49 4 233.1 318.6
85 3 1 3 28.696 57.392 0.312 6.38 4 19.5 2.2
86 4 2 2 28.814 57.627 0.313 6.32 4 220.6 277.7
87 3 1 -5 28.849 57.698 0.313 6.3 4 8.7 0.4
88 1 1 4 29.371 58.741 0.318 6.05 4 238.2 310.3
89 2 4 -2 29.581 59.161 0.32 5.96 4 293.8 464.4
90 0 2 4 29.608 59.217 0.321 5.95 4 250.5 336.9
91 8 2 -3 29.735 59.47 0.322 5.89 4 0.2 0.0
92 7 1 -5 29.797 59.595 0.323 5.86 4 10.9 0.6
93 5 1 2 29.823 59.646 0.323 5.85 4 265.6 372.5
94 8 2 -2 29.95 59.9 0.324 5.8 4 198.7 206.7
95 3 3 2 30.139 60.278 0.326 5.71 4 277.2 396.4
96 3 3 -4 30.251 60.502 0.327 5.67 4 252.4 326.1
97 1 3 3 30.259 60.519 0.327 5.66 4 12.5 0.8
98 2 4 1 30.336 60.672 0.328 5.63 4 5.4 0.1
99 9 1 -3 30.395 60.789 0.328 5.61 4 20.3 2.1
100 0 4 2 30.53 61.06 0.33 5.55 4 289.1 419.0
101 4 4 -1 30.614 61.228 0.331 5.52 4 35.8 6.4
102 5 3 -4 30.622 61.243 0.331 5.52 4 199.6 198.5
103 4 2 -5 30.844 61.687 0.333 5.43 4 39.6 7.7
104 4 4 -2 30.899 61.797 0.333 5.41 4 266.7 347.1
105 7 3 -2 31.063 62.126 0.335 5.34 4 252.5 307.6
106 6 2 1 31.082 62.165 0.335 5.34 4 25.9 3.2
107 8 2 -4 31.094 62.188 0.335 5.33 4 235.0 265.7
108 9 1 -2 31.12 62.24 0.335 5.32 4 263.3 333.1
109 9 1 -4 31.229 62.459 0.337 5.28 4 271.3 350.8
110 6 2 -5 31.302 62.603 0.337 5.25 4 0.3 0.0
111 7 3 -3 31.364 62.727 0.338 5.23 4 57.7 15.7
112 2 0 4 31.426 62.852 0.338 5.21 2 266.6 167.1
113 8 0 0 31.629 63.258 0.34 5.14 2 224.4 116.7
114 8 2 -1 31.72 63.439 0.341 5.1 4 42.6 8.4
115 5 3 1 31.76 63.52 0.342 5.09 4 30.9 4.4
116 1 1 -5 31.776 63.553 0.342 5.08 4 25.2 2.9
117 4 4 0 31.879 63.757 0.343 5.05 4 260.9 310.2
118 1 3 -4 32.109 64.218 0.345 4.97 4 231.4 240.2
119 7 3 -1 32.3 64.6 0.347 4.91 4 20.4 1.8
120 2 4 -3 32.442 64.884 0.348 4.86 4 12.2 0.7
121 2 2 -5 32.593 65.187 0.35 4.81 4 20.9 1.9
122 7 1 1 32.638 65.277 0.35 4.8 4 41.7 7.5
123 4 4 -3 32.71 65.42 0.351 4.77 4 17.5 1.3
124 6 0 2 33.038 66.076 0.354 4.67 2 259.2 141.8
125 7 3 -4 33.179 66.357 0.355 4.63 4 238.0 236.8
126 6 0 -6 33.321 66.641 0.357 4.59 2 193.1 77.3
127 9 1 -1 33.347 66.695 0.357 4.58 4 11.8 0.6
128 9 1 -5 33.558 67.117 0.359 4.52 4 30.3 3.7
129 10 0 -4 33.571 67.141 0.359 4.52 2 217.9 96.9
130 2 4 2 33.634 67.268 0.36 4.5 4 261.1 276.9
131 4 0 -6 33.862 67.724 0.362 4.44 2 219.3 96.4
132 8 2 -5 33.918 67.835 0.362 4.42 4 23.3 2.2
133 5 1 -6 34.139 68.278 0.364 4.36 4 219.0 188.9
134 0 4 3 34.322 68.643 0.366 4.31 4 19.6 1.5
135 6 4 -2 34.333 68.666 0.366 4.31 4 284.3 314.6
136 10 0 -2 34.441 68.881 0.367 4.28 2 262.9 133.6
137 4 4 1 34.599 69.199 0.369 4.24 4 11.8 0.5
138 7 1 -6 34.66 69.32 0.369 4.23 4 227.7 197.9
139 4 2 3 34.677 69.354 0.369 4.22 4 35.6 4.8
140 2 2 4 34.719 69.439 0.37 4.21 4 282.6 303.7
141 8 0 -6 34.904 69.809 0.371 4.17 2 153.5 44.3
142 8 2 0 34.913 69.825 0.372 4.17 4 188.9 134.1
143 5 3 -5 34.925 69.851 0.372 4.16 4 42.1 6.7
144 7 3 0 34.987 69.974 0.372 4.15 4 209.5 164.4
145 6 4 -1 35.031 70.063 0.373 4.14 4 9.8 0.4
146 6 4 -3 35.1 70.2 0.373 4.12 4 6.5 0.2
147 1 5 0 35.224 70.448 0.374 4.09 4 202.4 151.3
148 3 3 3 35.404 70.808 0.376 4.05 4 41.4 6.3
149 1 5 -1 35.472 70.944 0.377 4.03 4 9.3 0.3
150 3 3 -5 35.541 71.082 0.377 4.02 4 43.8 7.0
151 3 1 4 35.549 71.098 0.377 4.02 4 196.7 140.3
152 3 1 -6 35.72 71.44 0.379 3.98 4 183.8 121.4
153 4 4 -4 35.927 71.853 0.381 3.93 4 228.5 185.5
154 1 3 4 36.008 72.016 0.382 3.92 4 229.9 186.9
155 5 1 3 36.069 72.138 0.382 3.9 4 7.9 0.2
156 6 2 2 36.258 72.516 0.384 3.87 4 213.0 158.3
157 0 2 5 36.383 72.766 0.385 3.84 4 19.9 1.4
158 7 3 -5 36.393 72.785 0.385 3.84 4 43.8 6.7
159 5 3 2 36.416 72.832 0.385 3.83 4 214.1 158.7
160 1 5 1 36.423 72.846 0.385 3.83 4 14.8 0.8
161 10 2 -3 36.474 72.947 0.386 3.82 4 32.1 3.5
162 2 0 -6 36.484 72.969 0.386 3.82 2 173.5 51.9
163 6 2 -6 36.529 73.058 0.386 3.81 4 250.4 215.7
164 3 5 -1 36.592 73.185 0.387 3.8 4 31.6 3.4
165 2 4 -4 36.62 73.239 0.387 3.79 4 179.8 110.7
166 1 1 5 36.642 73.284 0.387 3.79 4 20.6 1.5
167 10 2 -4 36.769 73.538 0.389 3.76 4 221.7 167.1
168 9 3 -3 36.934 73.867 0.39 3.73 4 11.9 0.5
169 9 1 0 36.942 73.883 0.39 3.73 4 240.1 194.1
170 4 2 -6 37.049 74.098 0.391 3.71 4 269.3 242.9
171 1 5 -2 37.155 74.31 0.392 3.69 4 256.1 218.5
172 6 4 0 37.159 74.319 0.392 3.69 4 288.4 277.0
173 9 1 -6 37.244 74.488 0.393 3.67 4 217.3 156.6
174 3 5 0 37.29 74.579 0.393 3.67 4 229.5 174.4
175 6 4 -4 37.294 74.587 0.393 3.67 4 204.2 138.0
176 3 5 -2 37.323 74.647 0.394 3.66 4 263.6 229.6
177 9 3 -2 37.595 75.19 0.396 3.61 4 214.5 150.1
178 10 2 -2 37.607 75.213 0.396 3.61 4 190.4 118.2
179 9 3 -4 37.695 75.391 0.397 3.6 4 257.8 215.8
180 11 1 -4 37.914 75.829 0.399 3.56 4 160.4 82.7
181 8 2 -6 38.055 76.109 0.4 3.53 4 206.0 135.5
182 11 1 -3 38.089 76.178 0.4 3.53 4 0.6 0.0
183 7 1 2 38.176 76.351 0.401 3.52 4 223.0 157.9
184 1 3 -5 38.198 76.396 0.401 3.51 4 8.8 0.2
185 2 4 3 38.2 76.4 0.401 3.51 4 6.1 0.1
186 4 0 4 38.441 76.882 0.404 3.47 2 146.3 33.5
187 10 2 -5 38.48 76.96 0.404 3.47 4 13.7 0.6
188 10 0 -6 38.497 76.993 0.404 3.46 2 252.6 99.8
189 4 4 2 38.64 77.28 0.405 3.44 4 205.4 131.1
190 7 3 1 38.995 77.99 0.408 3.39 4 13.8 0.6
191 1 5 2 39.017 78.034 0.409 3.39 4 208.0 132.3
192 11 1 -5 39.149 78.297 0.41 3.37 4 41.5 5.2
193 1 1 -6 39.297 78.595 0.411 3.35 4 265.1 212.4
194 0 4 4 39.332 78.665 0.411 3.34 4 210.4 133.6
195 8 2 1 39.385 78.771 0.412 3.34 4 25.4 1.9
196 3 5 1 39.388 78.777 0.412 3.33 4 40.0 4.8
197 8 4 -3 39.443 78.887 0.412 3.33 4 11.0 0.4
198 3 5 -3 39.454 78.909 0.412 3.33 4 32.0 3.1
199 5 5 -2 39.513 79.026 0.413 3.32 4 208.6 130.3
200 2 2 -6 39.587 79.175 0.414 3.31 4 219.2 143.5
201 8 4 -2 39.632 79.265 0.414 3.3 4 208.4 129.5
202 9 3 -1 39.656 79.312 0.414 3.3 4 3.7 0.0
203 11 1 -2 39.666 79.333 0.414 3.3 4 240.3 171.9
204 5 5 -1 39.718 79.436 0.415 3.29 4 2.8 0.0
205 9 3 -5 39.853 79.706 0.416 3.27 4 16.3 0.8
206 10 2 -1 40.126 80.253 0.418 3.24 4 7.4 0.2
207 1 5 -3 40.209 80.417 0.419 3.23 4 12.6 0.5
208 5 3 -6 40.398 80.797 0.421 3.21 4 235.3 160.2
209 4 4 -5 40.424 80.849 0.421 3.2 4 20.8 1.3
210 7 1 -7 40.62 81.241 0.423 3.18 4 25.2 1.8
211 6 4 1 40.638 81.275 0.423 3.18 4 1.4 0.0
212 8 4 -4 40.648 81.296 0.423 3.18 4 215.5 133.2
213 5 5 -3 40.701 81.401 0.423 3.17 4 21.6 1.3
214 6 4 -5 40.834 81.668 0.424 3.16 4 24.6 1.7
215 7 3 -6 40.89 81.78 0.425 3.15 4 239.0 162.5
216 10 0 0 40.959 81.919 0.426 3.14 2 222.3 70.1
217 0 0 6 41.035 82.07 0.426 3.13 2 215.0 65.4
218 5 1 -7 41.043 82.086 0.426 3.13 4 4.8 0.1
219 12 0 -4 41.077 82.153 0.427 3.13 2 212.2 63.6
220 8 4 -1 41.21 82.42 0.428 3.12 4 24.7 1.7
221 5 5 0 41.312 82.623 0.429 3.11 4 230.4 148.8
222 4 2 4 41.5 83.0 0.43 3.09 4 187.7 98.2
223 10 2 -6 41.554 83.109 0.431 3.08 4 269.1 201.4
224 3 3 4 41.733 83.466 0.432 3.06 4 218.1 131.6
225 11 1 -6 41.757 83.514 0.432 3.06 4 220.1 133.9
226 9 1 1 41.794 83.588 0.433 3.06 4 32.2 2.9
227 3 3 -6 41.896 83.792 0.433 3.05 4 198.2 108.1
228 2 4 -5 42.003 84.006 0.434 3.04 4 11.6 0.4
229 2 2 5 42.011 84.022 0.434 3.04 4 10.1 0.3
230 8 0 2 42.079 84.158 0.435 3.03 2 275.9 104.2
231 9 1 -7 42.185 84.369 0.436 3.02 4 16.6 0.8
232 5 3 3 42.229 84.458 0.436 3.02 4 44.3 5.3
233 6 2 3 42.532 85.063 0.439 2.99 4 3.8 0.0
234 11 1 -1 42.608 85.215 0.439 2.99 4 14.6 0.6
235 1 3 5 42.779 85.557 0.441 2.97 4 18.9 1.0
236 3 5 2 42.836 85.672 0.441 2.97 4 224.3 134.8
237 6 2 -7 42.856 85.712 0.442 2.97 4 24.4 1.6
238 3 5 -4 42.933 85.867 0.442 2.96 4 203.7 110.8
239 1 5 3 42.941 85.881 0.442 2.96 4 38.0 3.9
240 9 3 0 43.067 86.133 0.443 2.95 4 248.3 164.1
241 8 4 -5 43.222 86.444 0.445 2.94 4 25.8 1.8
242 3 1 5 43.248 86.496 0.445 2.94 4 30.5 2.5
243 5 5 -4 43.258 86.516 0.445 2.93 4 178.7 84.6
244 5 1 4 43.273 86.547 0.445 2.93 4 215.4 122.8
245 9 3 -6 43.358 86.717 0.446 2.93 4 211.9 118.7
246 8 2 -7 43.424 86.848 0.446 2.92 4 18.3 0.9
247 3 1 -7 43.443 86.885 0.446 2.92 4 9.4 0.2
248 0 6 0 43.444 86.888 0.446 2.92 2 199.2 52.3
249 7 5 -2 43.647 87.294 0.448 2.91 4 209.5 115.3
250 12 0 -2 43.703 87.406 0.448 2.9 2 285.3 106.7
251 7 5 -3 43.914 87.828 0.45 2.89 4 10.1 0.3
252 4 4 3 43.93 87.859 0.45 2.89 4 21.7 1.2
253 12 0 -6 43.962 87.924 0.451 2.89 2 205.2 54.9
254 2 4 4 43.969 87.939 0.451 2.89 4 241.5 152.0
255 10 2 0 43.983 87.966 0.451 2.89 4 190.0 94.0
256 11 3 -4 44.007 88.014 0.451 2.88 4 188.1 92.1
257 0 2 6 44.058 88.116 0.451 2.88 4 238.4 147.9
258 12 2 -4 44.099 88.198 0.452 2.88 4 212.7 117.6
259 0 6 1 44.131 88.262 0.452 2.88 4 5.2 0.1
260 8 4 0 44.151 88.301 0.452 2.88 4 243.2 153.5
261 11 3 -3 44.176 88.353 0.452 2.87 4 42.6 4.7
262 2 6 -1 44.212 88.424 0.453 2.87 4 50.1 6.5
263 7 3 2 44.26 88.521 0.453 2.87 4 184.1 87.8
264 4 2 -7 44.261 88.522 0.453 2.87 4 11.3 0.3
265 5 5 1 44.267 88.535 0.453 2.87 4 24.0 1.5
266 2 6 0 44.43 88.859 0.454 2.86 4 176.4 80.3
267 1 5 -4 44.581 89.162 0.456 2.85 4 207.2 110.5
268 12 2 -3 44.721 89.441 0.457 2.84 4 23.4 1.4
269 7 5 -1 44.753 89.506 0.457 2.84 4 3.5 0.0
270 1 1 6 44.758 89.516 0.457 2.84 4 216.8 120.5
271 7 1 3 44.833 89.667 0.458 2.84 4 9.7 0.2
272 12 2 -5 44.85 89.7 0.458 2.84 4 23.3 1.4
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 2 0 0 7.533 15.067 5.87529 6109.9 50.2 50.2 5.6
2 1 1 0 7.587 15.174 5.8341 12163.9 100.0 100.0 5.6
3 2 0 -2 10.551 21.102 4.20669 2287.0 18.8 18.7 5.6
4 0 0 2 12.641 25.282 3.51983 1653.3 13.6 13.5 5.6
5 1 1 -2 12.861 25.723 3.46049 3224.4 26.5 26.3 5.6
6 3 1 0 13.157 26.314 3.38412 3659.6 30.1 29.9 5.6
7 3 1 -2 13.23 26.459 3.36583 5429.4 44.6 44.3 5.6
8 4 0 -2 13.379 26.758 3.32887 918.9 7.6 7.5 5.6
9 4 0 0 15.201 30.402 2.93765 1300.6 10.7 10.6 5.6
10 2 2 0 15.311 30.622 2.91705 856.8 7.0 7.0 5.6
11 1 1 2 16.546 33.091 2.70484 647.1 5.3 5.2 5.6
12 2 2 -2 17.06 34.12 2.62559 1218.2 10.0 9.9 5.7
13 3 1 -3 17.314 34.629 2.58818 130.5 1.1 1.1 5.7
14 5 1 -2 17.415 34.83 2.57366 838.0 6.9 6.8 5.7
15 2 0 2 18.111 36.221 2.47794 932.3 7.7 7.5 5.7
16 0 2 2 18.476 36.952 2.43061 1029.1 8.5 8.3 5.7
17 4 2 -2 19.008 38.016 2.36497 598.0 4.9 4.8 5.7
18 6 0 -2 19.18 38.36 2.34459 1123.5 9.2 9.1 5.7
19 5 1 0 20.318 40.635 2.21841 1164.3 9.6 9.4 5.7
20 4 2 0 20.382 40.763 2.21171 652.5 5.4 5.3 5.7
21 1 3 0 20.488 40.977 2.20069 745.2 6.1 6.0 5.7
22 4 0 -4 21.482 42.965 2.10335 774.3 6.4 6.2 5.7
23 2 0 -4 22.435 44.871 2.01833 287.0 2.4 2.3 5.7
24 3 1 2 22.547 45.094 2.00886 1139.6 9.4 9.1 5.7
25 3 1 -4 22.684 45.367 1.99739 1145.5 9.4 9.2 5.7
26 2 2 2 22.72 45.44 1.99438 708.0 5.8 5.7 5.7
27 1 3 -2 23.155 46.311 1.95887 1911.2 15.7 15.3 5.7
28 3 3 0 23.334 46.668 1.9447 1009.9 8.3 8.1 5.7
29 3 3 -2 23.379 46.757 1.94121 899.4 7.4 7.2 5.7
30 6 2 -2 23.615 47.231 1.92285 782.3 6.4 6.3 5.7
31 7 1 -2 23.668 47.337 1.91877 810.7 6.7 6.5 5.7
32 1 1 -4 24.913 49.826 1.82859 593.9 4.9 4.7 5.7
33 4 0 2 25.085 50.17 1.81685 302.3 2.5 2.4 5.7
34 1 3 2 25.562 51.124 1.78519 344.8 2.8 2.7 5.8
35 4 2 -4 25.597 51.194 1.78291 735.9 6.0 5.9 5.8
36 0 0 4 25.956 51.912 1.75991 213.1 1.8 1.7 5.8
37 7 1 -4 26.162 52.324 1.74702 878.3 7.2 7.0 5.8
38 8 0 -2 26.328 52.656 1.73677 282.6 2.3 2.2 5.8
39 2 2 -4 26.435 52.87 1.73024 357.0 2.9 2.8 5.8
40 6 2 0 27.08 54.16 1.69206 408.3 3.4 3.2 5.8
41 6 2 -4 27.239 54.478 1.68291 380.6 3.1 3.0 5.8
42 0 4 0 27.286 54.572 1.68025 296.3 2.4 2.3 5.8
43 8 0 -4 27.567 55.134 1.66443 191.7 1.6 1.5 5.8
44 7 1 0 28.227 56.454 1.62863 185.5 1.5 1.5 5.8
45 5 3 0 28.361 56.721 1.62158 446.8 3.7 3.5 5.8
46 2 4 0 28.477 56.955 1.61548 318.6 2.6 2.5 5.8
47 4 2 2 28.814 57.627 1.59822 277.7 2.3 2.2 5.8
48 1 1 4 29.371 58.741 1.57054 310.3 2.6 2.4 5.8
49 2 4 -2 29.581 59.161 1.56038 801.2 6.6 6.3 5.8
50 5 1 2 29.823 59.646 1.54885 372.5 3.1 2.9 5.8
51 8 2 -2 29.95 59.9 1.5429 206.7 1.7 1.6 5.8
52 3 3 2 30.139 60.278 1.53411 396.4 3.3 3.1 5.8
53 3 3 -4 30.251 60.502 1.52898 326.9 2.7 2.6 5.8
54 0 4 2 30.53 61.06 1.51634 419.0 3.4 3.3 5.8
55 5 3 -4 30.622 61.243 1.51224 204.8 1.7 1.6 5.8
56 4 4 -2 30.899 61.797 1.5 347.1 2.9 2.7 5.8
57 7 3 -2 31.063 62.126 1.49284 310.8 2.6 2.4 5.8
58 9 1 -2 31.12 62.24 1.49039 598.9 4.9 4.7 5.8
59 9 1 -4 31.229 62.459 1.48569 350.8 2.9 2.7 5.8
60 2 0 4 31.426 62.852 1.47734 167.1 1.4 1.3 5.9
61 4 4 0 31.879 63.757 1.45852 310.2 2.5 2.4 5.9
62 1 3 -4 32.109 64.218 1.44917 240.2 2.0 1.9 5.9
63 6 0 2 33.038 66.076 1.41285 141.8 1.2 1.1 5.9
64 7 3 -4 33.179 66.357 1.40755 236.8 1.9 1.8 5.9
65 2 4 2 33.634 67.268 1.39068 276.9 2.3 2.2 5.9
66 5 1 -6 34.139 68.278 1.37255 188.9 1.6 1.5 5.9
67 6 4 -2 34.333 68.666 1.36575 316.1 2.6 2.5 5.9
68 10 0 -2 34.441 68.881 1.362 133.6 1.1 1.0 5.9
69 7 1 -6 34.66 69.32 1.35444 202.8 1.7 1.6 5.9
70 2 2 4 34.719 69.439 1.35242 303.7 2.5 2.4 5.9
71 8 2 0 34.913 69.825 1.34588 185.1 1.5 1.4 5.9
72 7 3 0 34.987 69.974 1.34338 164.4 1.4 1.3 5.9
73 1 5 0 35.224 70.448 1.33549 151.3 1.2 1.2 5.9
74 3 1 4 35.549 71.098 1.32487 147.3 1.2 1.1 5.9
75 4 4 -4 35.927 71.853 1.31279 185.5 1.5 1.4 5.9
76 1 3 4 36.008 72.016 1.31022 186.9 1.5 1.4 5.9
77 6 2 2 36.258 72.516 1.30242 158.3 1.3 1.2 5.9
78 5 3 2 36.416 72.832 1.29755 167.4 1.4 1.3 6.0
79 6 2 -6 36.529 73.058 1.29409 215.7 1.8 1.7 6.0
80 10 2 -4 36.769 73.538 1.28683 167.1 1.4 1.3 6.0
81 9 1 0 36.942 73.883 1.28166 194.1 1.6 1.5 6.0
82 4 2 -6 37.049 74.098 1.27847 242.9 2.0 1.9 6.0
83 6 4 0 37.159 74.319 1.27523 495.5 4.1 3.8 6.0
84 9 1 -6 37.244 74.488 1.27274 156.6 1.3 1.2 6.0
85 3 5 0 37.29 74.579 1.27141 312.4 2.6 2.4 6.0
86 3 5 -2 37.323 74.647 1.27044 229.6 1.9 1.8 6.0
87 9 3 -2 37.595 75.19 1.26259 268.3 2.2 2.1 6.0
88 9 3 -4 37.695 75.391 1.25973 215.8 1.8 1.7 6.0
89 8 2 -6 38.055 76.109 1.24962 135.5 1.1 1.0 6.0
90 7 1 2 38.176 76.351 1.24626 158.3 1.3 1.2 6.0
91 4 4 2 38.64 77.28 1.23358 131.1 1.1 1.0 6.0
92 1 5 2 39.017 78.034 1.22353 132.3 1.1 1.0 6.0
93 1 1 -6 39.297 78.595 1.21621 212.4 1.7 1.6 6.0
94 0 4 4 39.332 78.665 1.2153 133.6 1.1 1.0 6.0
95 5 5 -2 39.513 79.026 1.21065 130.3 1.1 1.0 6.0
96 2 2 -6 39.587 79.175 1.20875 143.5 1.2 1.1 6.0
97 8 4 -2 39.632 79.265 1.2076 129.6 1.1 1.0 6.0
98 11 1 -2 39.666 79.333 1.20674 171.9 1.4 1.3 6.0
99 5 3 -6 40.398 80.797 1.18853 161.5 1.3 1.2 6.1
100 8 4 -4 40.648 81.296 1.18248 135.1 1.1 1.0 6.1
101 7 3 -6 40.89 81.78 1.17671 162.5 1.3 1.2 6.1
102 5 5 0 41.312 82.623 1.16682 148.8 1.2 1.1 6.1
103 10 2 -6 41.554 83.109 1.16123 201.4 1.7 1.5 6.1
104 11 1 -6 41.757 83.514 1.15663 265.5 2.2 2.0 6.1
105 3 5 2 42.836 85.672 1.13293 136.4 1.1 1.0 6.1
106 9 3 0 43.067 86.133 1.12804 164.1 1.3 1.2 6.1
107 5 1 4 43.273 86.547 1.12371 211.6 1.7 1.6 6.1
108 10 2 0 43.983 87.966 1.1092 393.0 3.2 2.9 6.2
109 0 2 6 44.058 88.116 1.1077 147.9 1.2 1.1 6.2
110 8 4 0 44.151 88.301 1.10586 158.2 1.3 1.2 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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