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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PATRONITE
1
VS(4)
Monoclinic I 2/c Z = 8
I2/c
23 .3 .1988
Ref.Str.:
Allmann R., Baumann J., Kutoglu A., Rosch H., Hellner E. (1964)
* Naturwissenschaften, 51, 263-264
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.78 alpha = 90.0
b = 10.42 beta = 100.8
c = 12.11 gamma = 90.0
Unit cell volume (cub. angs.) = 840.39
Molar volume ( cub.cm/mol.) = 63.27
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.001 0.117 0.7 V = 1.00
2 0.763 0.098 0.218 1.0 S = 1.00
3 0.763 0.904 0.234 1.1 S = 1.00
4 0.278 0.05 0.028 1.0 S = 1.00
5 0.053 0.183 0.004 1.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.001 0.117
2 2 0.763 0.098 0.218
3 3 0.763 0.904 0.234
4 4 0.278 0.05 0.028
5 5 0.053 0.183 0.004
6 1 0.0 0.999 0.883
7 2 0.237 0.902 0.782
8 3 0.237 0.096 0.766
9 4 0.722 0.95 0.972
10 5 0.947 0.817 0.996
11 1 0.5 0.499 0.383
12 2 0.737 0.402 0.282
13 3 0.737 0.596 0.266
14 4 0.222 0.45 0.472
15 5 0.447 0.317 0.496
16 1 0.5 0.501 0.617
17 2 0.263 0.598 0.718
18 3 0.263 0.404 0.734
19 4 0.778 0.55 0.528
20 5 0.553 0.683 0.504
21 1 0.0 0.999 0.617
22 2 0.763 0.902 0.718
23 3 0.763 0.096 0.734
24 4 0.278 0.95 0.528
25 5 0.053 0.817 0.504
26 1 0.0 0.001 0.383
27 2 0.237 0.098 0.282
28 3 0.237 0.904 0.266
29 4 0.722 0.05 0.472
30 5 0.947 0.183 0.496
31 1 0.5 0.501 0.883
32 2 0.737 0.598 0.782
33 3 0.737 0.404 0.766
34 4 0.222 0.55 0.972
35 5 0.447 0.683 0.996
36 1 0.5 0.499 0.117
37 2 0.263 0.402 0.218
38 3 0.263 0.596 0.234
39 4 0.778 0.45 0.028
40 5 0.553 0.317 0.004
X-ray density (g/cm cub.) = 2.83
MU (1/cm) = 368.12 Mass attenuation coefficient (cm**2/g) = 130.011
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 V 3.048 8
2.4158 2
2.5425 3
2.395 4
2.4047 5
2.3829 4
2.3989 5
2.5284 2
2.4027 3
2 S 4.368 14
2.0307 3
3.6772 4
3.6436 5
3.3196 4
4.3144 5
3.2737 2
3.1615 2
3.7888 2
3.7486 3
4.2331 3
3.1795 4
3.4786 5
4.3411 4
3.5451 5
3 S 4.368 13
2.0307 2
4.0344 4
3.1691 4
3.4688 5
3.2414 3
3.6013 5
3.7486 2
4.2331 2
3.1641 3
3.6588 3
3.3165 4
4.3118 5
3.9857 5
4 S 4.368 13
3.6772 2
4.0344 3
2.0411 5
3.3196 2
3.1691 3
3.3724 4
3.8468 4
3.2795 5
3.1795 2
3.3165 3
4.0316 5
4.3411 2
3.3918 5
5 S 4.368 15
3.6436 2
2.0411 4
4.3144 2
3.4688 3
3.2795 4
3.8787 5
3.6013 3
3.4786 2
4.3118 3
3.9857 3
4.0316 4
3.5451 2
3.3918 4
3.6663 5
3.6663 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 0 1 1 5.64 11.28 0.064 204.12 4 10.4 12.4
2 0 0 2 7.441 14.882 0.084 116.29 2 18.7 11.5
3 1 1 0 7.89 15.779 0.089 103.2 4 181.9 1934.0
4 0 2 0 8.502 17.004 0.096 88.56 2 235.5 1391.1
5 1 1 -2 9.974 19.949 0.112 63.75 4 8.0 2.3
6 1 2 -1 11.033 22.065 0.124 51.71 4 76.8 172.9
7 0 2 2 11.335 22.67 0.128 48.88 4 46.8 60.6
8 1 1 2 11.715 23.43 0.132 45.63 4 40.4 42.2
9 1 2 1 11.86 23.719 0.133 44.47 4 77.1 149.7
10 0 1 3 11.996 23.993 0.135 43.41 4 31.1 23.9
11 0 3 1 13.358 26.715 0.15 34.62 4 13.0 3.3
12 2 0 0 13.375 26.749 0.15 34.53 2 84.7 70.1
13 2 1 -1 13.881 27.761 0.156 31.91 4 47.7 41.1
14 2 0 -2 14.064 28.128 0.158 31.03 2 170.5 255.5
15 1 3 0 14.484 28.969 0.162 29.15 4 25.9 11.1
16 1 2 -3 14.719 29.437 0.165 28.16 4 94.7 143.1
17 0 0 4 15.012 30.023 0.168 27.0 2 199.3 303.7
18 2 1 1 15.204 30.408 0.17 26.27 4 40.1 23.9
19 1 3 -2 15.754 31.508 0.176 24.34 4 45.6 28.7
20 1 1 -4 15.862 31.724 0.177 23.98 4 54.0 39.6
21 2 2 0 15.934 31.868 0.178 23.75 4 57.9 45.0
22 2 1 -3 16.416 32.832 0.183 22.27 4 59.4 44.5
23 2 2 -2 16.526 33.052 0.185 21.95 4 55.4 38.2
24 1 2 3 16.577 33.153 0.185 21.8 4 94.0 109.0
25 2 0 2 16.588 33.177 0.185 21.77 2 192.1 227.4
26 1 3 2 16.945 33.89 0.189 20.79 4 104.9 129.6
27 0 3 3 17.147 34.294 0.191 20.26 4 48.5 26.9
28 0 4 0 17.199 34.398 0.192 20.12 2 4.1 0.1
29 0 2 4 17.352 34.704 0.194 19.74 4 74.8 62.6
30 1 1 4 18.162 36.324 0.202 17.86 4 220.8 493.1
31 2 0 -4 18.257 36.514 0.203 17.66 2 250.2 313.0
32 2 3 -1 18.556 37.112 0.207 17.04 4 32.5 10.2
33 1 4 -1 18.644 37.288 0.208 16.86 4 49.3 23.2
34 2 2 2 18.754 37.508 0.209 16.65 4 25.8 6.3
35 0 4 2 18.833 37.666 0.21 16.49 4 151.2 213.5
36 1 4 1 19.168 38.337 0.213 15.86 4 43.0 16.6
37 0 1 5 19.396 38.793 0.216 15.45 4 13.7 1.6
38 2 3 1 19.597 39.194 0.218 15.1 4 48.6 20.2
39 2 1 3 19.693 39.385 0.219 14.94 4 29.2 7.2
40 1 3 -4 20.128 40.257 0.223 14.23 4 194.5 304.9
41 2 2 -4 20.268 40.536 0.225 14.01 4 264.6 555.7
42 2 3 -3 20.582 41.164 0.228 13.54 4 10.0 0.8
43 3 1 -2 20.773 41.546 0.23 13.27 4 113.3 96.4
44 3 1 0 20.779 41.558 0.23 13.26 4 141.6 150.5
45 1 2 -5 20.794 41.588 0.23 13.24 4 23.4 4.1
46 1 4 -3 21.145 42.291 0.234 12.75 4 61.1 26.9
47 2 1 -5 21.618 43.236 0.239 12.13 4 32.7 7.4
48 3 2 -1 21.809 43.618 0.241 11.89 4 11.5 0.9
49 0 5 1 22.039 44.079 0.244 11.62 4 10.2 0.7
50 1 3 4 22.045 44.09 0.244 11.61 4 195.6 251.6
51 2 4 0 22.05 44.101 0.244 11.6 4 202.4 269.2
52 2 0 4 22.224 44.447 0.246 11.4 2 232.1 173.9
53 2 4 -2 22.503 45.007 0.248 11.08 4 124.3 97.0
54 1 4 3 22.542 45.085 0.249 11.04 4 40.9 10.5
55 1 5 0 22.786 45.572 0.251 10.77 4 163.2 162.4
56 0 0 6 22.863 45.725 0.252 10.69 2 10.0 0.3
57 1 1 -6 23.022 46.045 0.254 10.53 4 46.2 12.7
58 0 3 5 23.106 46.213 0.255 10.44 4 18.4 2.0
59 1 2 5 23.113 46.227 0.255 10.43 4 18.1 1.9
60 0 4 4 23.147 46.294 0.255 10.4 4 193.8 221.2
61 3 2 -3 23.163 46.327 0.255 10.38 4 17.7 1.8
62 3 2 1 23.174 46.349 0.255 10.37 4 22.4 2.9
63 2 3 3 23.364 46.728 0.257 10.18 4 67.6 26.3
64 3 1 -4 23.521 47.042 0.259 10.03 4 193.4 212.4
65 3 1 2 23.537 47.074 0.259 10.01 4 74.9 31.9
66 1 5 -2 23.668 47.336 0.261 9.89 4 128.9 93.1
67 2 2 4 23.96 47.919 0.264 9.62 4 219.7 262.8
68 2 4 2 24.269 48.539 0.267 9.34 4 123.6 80.8
69 3 3 -2 24.312 48.625 0.267 9.3 4 42.1 9.4
70 3 3 0 24.318 48.635 0.267 9.3 4 102.8 55.7
71 2 0 -6 24.409 48.819 0.268 9.22 2 42.9 4.8
72 1 5 2 24.531 49.062 0.27 9.11 4 38.0 7.4
73 0 2 6 24.564 49.127 0.27 9.09 4 81.8 34.4
74 0 5 3 24.68 49.361 0.271 8.99 4 41.8 8.9
75 2 3 -5 25.063 50.126 0.275 8.68 4 8.4 0.3
76 2 4 -4 25.518 51.035 0.28 8.33 4 56.4 15.0
77 1 1 6 25.595 51.19 0.28 8.27 4 11.8 0.6
78 2 5 -1 25.747 51.494 0.282 8.16 4 40.9 7.7
79 1 4 -5 25.959 51.918 0.284 8.01 4 24.8 2.8
80 2 1 5 25.978 51.956 0.284 8.0 4 35.5 5.7
81 2 2 -6 26.034 52.068 0.285 7.96 4 93.8 39.7
82 1 3 -6 26.326 52.651 0.288 7.76 4 36.7 5.9
83 0 6 0 26.33 52.66 0.288 7.76 2 19.4 0.8
84 2 5 1 26.56 53.12 0.29 7.61 4 51.6 11.5
85 3 3 -4 26.778 53.556 0.292 7.47 4 125.0 66.1
86 3 3 2 26.793 53.585 0.293 7.46 4 11.3 0.5
87 3 4 -1 26.822 53.644 0.293 7.44 4 118.0 58.7
88 3 2 -5 26.92 53.84 0.294 7.38 4 20.5 1.8
89 3 2 3 26.939 53.879 0.294 7.36 4 7.2 0.2
90 1 5 -4 26.982 53.964 0.295 7.34 4 129.7 69.9
91 4 0 -2 27.159 54.317 0.296 7.23 2 15.7 0.5
92 0 1 7 27.34 54.679 0.298 7.12 4 53.6 11.6
93 2 5 -3 27.347 54.693 0.298 7.12 4 5.6 0.1
94 1 6 -1 27.379 54.759 0.299 7.1 4 79.3 25.3
95 4 1 -1 27.448 54.895 0.299 7.06 4 71.7 20.6
96 0 6 2 27.52 55.04 0.3 7.02 4 159.4 100.9
97 4 0 0 27.557 55.115 0.3 6.99 2 301.2 179.7
98 1 6 1 27.771 55.543 0.302 6.87 4 81.0 25.6
99 1 4 5 27.949 55.899 0.304 6.77 4 15.1 0.9
100 3 4 -3 27.993 55.986 0.305 6.75 4 129.2 63.8
101 3 4 1 28.003 56.005 0.305 6.74 4 100.6 38.6
102 1 2 -7 28.045 56.089 0.305 6.72 4 48.1 8.8
103 4 1 -3 28.217 56.434 0.307 6.63 4 54.4 11.1
104 2 1 -7 28.326 56.652 0.308 6.57 4 70.1 18.3
105 3 1 -6 28.405 56.809 0.309 6.53 4 51.5 9.8
106 3 1 4 28.428 56.856 0.309 6.52 4 11.1 0.5
107 1 5 4 28.543 57.086 0.31 6.46 4 18.3 1.2
108 4 2 -2 28.672 57.345 0.311 6.39 4 11.2 0.5
109 1 3 6 28.682 57.364 0.312 6.39 4 147.8 79.1
110 2 4 4 28.691 57.382 0.312 6.38 4 24.8 2.2
111 4 1 1 28.992 57.983 0.315 6.23 4 77.2 21.1
112 2 3 5 29.037 58.073 0.315 6.21 4 48.2 8.2
113 4 2 0 29.057 58.115 0.315 6.2 4 173.8 106.1
114 4 0 -4 29.079 58.158 0.315 6.19 2 67.5 8.0
115 2 0 6 29.209 58.418 0.317 6.13 2 97.4 16.5
116 0 4 6 29.225 58.451 0.317 6.12 4 31.6 3.5
117 1 6 -3 29.295 58.59 0.318 6.09 4 55.0 10.4
118 0 5 5 29.431 58.861 0.319 6.03 4 40.0 5.5
119 2 5 3 29.648 59.297 0.321 5.93 4 74.9 18.8
120 2 6 0 30.016 60.031 0.325 5.77 4 269.9 237.9
121 4 0 2 30.215 60.43 0.327 5.68 2 74.3 8.9
122 0 3 7 30.306 60.612 0.328 5.64 4 81.5 21.2
123 2 6 -2 30.381 60.762 0.328 5.61 4 26.6 2.3
124 4 3 -1 30.407 60.815 0.329 5.6 4 9.0 0.3
125 1 6 3 30.413 60.825 0.329 5.6 4 54.1 9.3
126 3 5 -2 30.457 60.914 0.329 5.58 4 24.0 1.8
127 3 5 0 30.462 60.923 0.329 5.58 4 158.3 79.2
128 4 2 -4 30.531 61.063 0.33 5.55 4 31.4 3.1
129 2 4 -6 30.54 61.081 0.33 5.55 4 94.6 28.1
130 2 2 6 30.657 61.314 0.331 5.5 4 35.3 3.9
131 1 2 7 30.68 61.359 0.331 5.49 4 52.5 8.6
132 0 6 4 30.906 61.812 0.333 5.4 4 147.0 66.1
133 1 1 -8 30.966 61.932 0.334 5.38 4 263.7 211.9
134 2 5 -5 31.105 62.21 0.335 5.33 4 12.3 0.5
135 4 3 -3 31.13 62.26 0.336 5.32 4 23.6 1.7
136 4 1 -5 31.189 62.379 0.336 5.3 4 66.4 13.2
137 0 0 8 31.2 62.401 0.336 5.29 2 201.9 61.1
138 2 3 -7 31.233 62.465 0.337 5.28 4 71.6 15.3
139 3 3 -6 31.307 62.613 0.337 5.25 4 115.4 39.6
140 3 3 4 31.329 62.657 0.338 5.24 4 97.5 28.2
141 3 4 -5 31.342 62.684 0.338 5.24 4 94.2 26.3
142 3 4 3 31.36 62.719 0.338 5.23 4 94.6 26.5
143 0 7 1 31.433 62.866 0.339 5.21 4 11.2 0.4
144 4 2 2 31.636 63.271 0.34 5.13 4 16.1 0.8
145 2 0 -8 31.754 63.507 0.342 5.09 2 89.7 11.6
146 2 6 2 31.835 63.671 0.342 5.06 4 44.0 5.5
147 4 3 1 31.861 63.722 0.343 5.05 4 22.9 1.5
148 1 7 0 32.021 64.042 0.344 5.0 4 84.8 20.3
149 1 5 -6 32.209 64.419 0.346 4.94 4 123.1 42.4
150 1 4 -7 32.369 64.738 0.348 4.88 4 31.5 2.7
151 3 2 -7 32.505 65.01 0.349 4.84 4 4.6 0.1
152 3 2 5 32.531 65.062 0.349 4.83 4 60.8 10.1
153 0 2 8 32.596 65.193 0.35 4.81 4 67.8 12.5
154 3 5 -4 32.609 65.218 0.35 4.81 4 31.9 2.8
155 3 5 2 32.622 65.244 0.35 4.8 4 42.8 5.0
156 4 1 3 32.641 65.281 0.35 4.8 4 74.3 15.0
157 1 7 -2 32.728 65.456 0.351 4.77 4 10.7 0.3
158 2 6 -4 32.889 65.779 0.352 4.72 4 44.8 5.4
159 4 4 -2 32.947 65.894 0.353 4.7 4 99.8 26.5
160 4 0 -6 33.062 66.124 0.354 4.67 2 14.9 0.3
161 2 2 -8 33.137 66.274 0.355 4.64 4 15.8 0.7
162 1 6 -5 33.267 66.534 0.356 4.61 4 66.3 11.5
163 4 4 0 33.303 66.605 0.356 4.59 4 16.9 0.7
164 1 7 2 33.431 66.862 0.358 4.56 4 5.4 0.1
165 2 1 7 33.444 66.887 0.358 4.55 4 4.2 0.0
166 0 7 3 33.554 67.108 0.359 4.52 4 28.0 2.0
167 1 3 -8 33.738 67.476 0.361 4.47 4 32.7 2.7
168 1 1 8 33.812 67.623 0.361 4.45 4 34.4 3.0
169 4 3 -5 33.951 67.902 0.363 4.41 4 0.6 0.0
170 3 6 -1 34.012 68.024 0.363 4.4 4 31.6 2.5
171 1 5 6 34.314 68.627 0.366 4.32 4 64.1 10.0
172 4 2 -6 34.418 68.836 0.367 4.29 4 9.7 0.2
173 2 7 -1 34.441 68.882 0.367 4.28 4 22.8 1.3
174 2 5 5 34.635 69.27 0.369 4.23 4 74.6 13.3
175 4 4 -4 34.674 69.347 0.369 4.22 4 123.4 36.5
176 2 4 6 34.791 69.583 0.37 4.2 4 96.7 22.2
177 1 4 7 34.813 69.625 0.371 4.19 4 8.1 0.2
178 4 0 4 34.819 69.639 0.371 4.19 2 41.7 2.1
179 3 1 -8 34.87 69.739 0.371 4.18 4 33.0 2.6
180 3 1 6 34.899 69.797 0.371 4.17 4 16.6 0.7
181 5 1 -2 34.976 69.952 0.372 4.15 4 82.9 16.2
182 1 6 5 34.998 69.997 0.372 4.15 4 54.9 7.1
183 3 6 -3 35.037 70.074 0.373 4.14 4 22.3 1.2
184 3 6 1 35.045 70.091 0.373 4.13 4 13.9 0.5
185 2 7 1 35.127 70.255 0.373 4.11 4 18.5 0.8
186 4 3 3 35.343 70.687 0.375 4.06 4 30.5 2.1
187 1 7 -4 35.487 70.975 0.377 4.03 4 144.5 47.6
188 2 6 4 35.655 71.31 0.378 3.99 4 47.2 5.0
189 5 1 0 35.662 71.324 0.378 3.99 4 80.0 14.5
190 4 4 2 35.71 71.421 0.379 3.98 4 104.2 24.5
191 0 5 7 35.794 71.588 0.38 3.96 4 52.1 6.1
192 2 7 -3 35.8 71.6 0.38 3.96 4 30.3 2.1
193 4 5 -1 35.887 71.774 0.381 3.94 4 2.3 0.0
194 0 1 9 35.977 71.953 0.381 3.92 4 2.0 0.0
195 4 1 -7 36.053 72.106 0.382 3.91 4 17.8 0.7
196 5 2 -1 36.057 72.115 0.382 3.91 4 63.1 8.8
197 2 3 7 36.118 72.235 0.383 3.89 4 91.0 18.3
198 0 6 6 36.132 72.263 0.383 3.89 4 71.5 11.3
199 4 2 4 36.144 72.289 0.383 3.89 4 44.9 4.4
200 2 1 -9 36.156 72.313 0.383 3.89 4 10.5 0.2
201 1 2 -9 36.248 72.496 0.384 3.87 4 2.4 0.0
202 0 8 0 36.255 72.511 0.384 3.87 2 1.7 0.0
203 5 1 -4 36.322 72.644 0.384 3.85 4 15.7 0.5
204 5 2 -3 36.387 72.773 0.385 3.84 4 85.4 15.8
205 1 3 8 36.473 72.947 0.386 3.82 4 22.5 1.1
206 3 4 -7 36.532 73.064 0.386 3.81 4 86.9 16.3
207 4 5 -3 36.553 73.107 0.387 3.81 4 23.5 1.2
208 3 4 5 36.556 73.113 0.387 3.81 4 46.2 4.6
209 0 4 8 36.618 73.237 0.387 3.79 4 47.6 4.9
210 2 5 -7 36.648 73.296 0.387 3.79 4 37.5 3.0
211 3 5 -6 36.717 73.434 0.388 3.77 4 91.5 17.9
212 3 5 4 36.737 73.475 0.388 3.77 4 100.2 21.4
213 1 7 4 36.838 73.675 0.389 3.75 4 44.3 4.2
214 2 4 -8 37.132 74.263 0.392 3.7 4 78.3 12.8
215 1 8 -1 37.138 74.276 0.392 3.69 4 39.9 3.3
216 4 5 1 37.231 74.463 0.393 3.68 4 14.0 0.4
217 0 8 2 37.258 74.515 0.393 3.67 4 107.1 23.9
218 2 0 8 37.273 74.547 0.393 3.67 2 73.1 5.5
219 2 6 -6 37.317 74.634 0.394 3.66 4 16.7 0.6
220 1 8 1 37.472 74.943 0.395 3.63 4 44.0 4.0
221 3 3 -8 37.499 74.998 0.395 3.63 4 40.3 3.3
222 3 3 6 37.527 75.054 0.395 3.62 4 3.5 0.0
223 5 3 -2 37.602 75.204 0.396 3.61 4 12.7 0.3
224 0 7 5 37.619 75.238 0.396 3.61 4 55.3 6.3
225 5 2 1 37.732 75.465 0.397 3.59 4 53.9 5.9
226 2 7 3 37.812 75.624 0.398 3.58 4 6.7 0.1
227 3 6 -5 38.048 76.095 0.4 3.54 4 34.3 2.4
228 3 6 3 38.064 76.128 0.4 3.53 4 13.6 0.4
229 4 1 5 38.084 76.168 0.4 3.53 4 62.1 7.7
230 5 3 0 38.27 76.539 0.402 3.5 4 51.1 5.2
231 5 1 2 38.336 76.671 0.403 3.49 4 54.5 5.9
232 4 4 -6 38.355 76.71 0.403 3.49 4 15.3 0.5
233 3 7 -2 38.533 77.067 0.404 3.46 4 27.9 1.5
234 3 7 0 38.537 77.075 0.404 3.46 4 71.3 10.0
235 2 2 8 38.565 77.13 0.405 3.45 4 42.1 3.5
236 0 3 9 38.576 77.152 0.405 3.45 4 3.8 0.0
237 4 3 -7 38.651 77.301 0.405 3.44 4 72.4 10.2
238 5 2 -5 38.701 77.402 0.406 3.43 4 63.0 7.7
239 2 3 -9 38.752 77.503 0.406 3.43 4 11.7 0.3
240 1 8 -3 38.788 77.576 0.407 3.42 4 16.4 0.5
241 4 0 -8 38.797 77.593 0.407 3.42 2 144.3 20.2
242 5 3 -4 38.913 77.826 0.408 3.4 4 109.2 23.0
243 1 5 -8 38.991 77.983 0.408 3.39 4 25.7 1.3
244 1 6 -7 38.993 77.985 0.408 3.39 4 22.3 1.0
245 2 7 -5 39.117 78.233 0.41 3.37 4 69.6 9.3
246 4 5 -5 39.193 78.386 0.41 3.36 4 30.7 1.8
247 1 2 9 39.239 78.479 0.411 3.36 4 1.9 0.0
248 2 8 0 39.421 78.842 0.412 3.33 4 62.8 7.4
249 4 6 -2 39.528 79.056 0.413 3.32 4 80.7 12.2
250 3 2 -9 39.588 79.177 0.414 3.31 4 12.1 0.3
251 5 1 -6 39.619 79.239 0.414 3.3 4 95.4 17.0
252 3 2 7 39.62 79.24 0.414 3.3 4 17.6 0.6
253 2 8 -2 39.745 79.489 0.415 3.29 4 24.1 1.1
254 1 8 3 39.773 79.545 0.415 3.28 4 17.6 0.6
255 1 1 -10 39.82 79.64 0.416 3.28 4 35.0 2.3
256 4 6 0 39.859 79.719 0.416 3.27 4 11.0 0.2
257 5 4 -1 39.933 79.865 0.417 3.26 4 18.0 0.6
258 4 4 4 40.017 80.034 0.417 3.25 4 153.2 43.2
259 4 2 -8 40.073 80.146 0.418 3.25 4 92.9 15.9
260 1 4 -9 40.117 80.234 0.418 3.24 4 0.7 0.0
261 1 7 -6 40.121 80.242 0.418 3.24 4 22.2 0.9
262 2 0 -10 40.204 80.408 0.419 3.23 2 69.0 4.4
263 0 8 4 40.212 80.424 0.419 3.23 4 149.8 41.0
264 5 4 -3 40.251 80.502 0.419 3.22 4 1.3 0.0
265 0 0 10 40.356 80.713 0.42 3.21 2 74.8 5.1
266 3 7 -4 40.488 80.975 0.421 3.2 4 45.0 3.7
267 3 7 2 40.499 80.999 0.422 3.19 4 19.4 0.7
268 4 5 3 40.517 81.033 0.422 3.19 4 29.0 1.5
269 4 3 5 40.639 81.278 0.423 3.18 4 16.2 0.5
270 5 3 2 40.886 81.773 0.425 3.15 4 11.7 0.2
271 2 8 2 41.048 82.096 0.426 3.13 4 18.4 0.6
272 4 0 6 41.112 82.223 0.427 3.13 2 112.5 11.2
273 4 6 -4 41.146 82.292 0.427 3.12 4 132.1 30.8
274 2 6 6 41.258 82.515 0.428 3.11 4 55.3 5.4
275 2 5 7 41.258 82.516 0.428 3.11 4 79.9 11.2
276 1 6 7 41.277 82.555 0.428 3.11 4 7.4 0.1
277 5 2 3 41.33 82.66 0.429 3.1 4 59.6 6.2
278 2 2 -10 41.47 82.939 0.43 3.09 4 4.6 0.0
279 5 4 1 41.559 83.118 0.431 3.08 4 29.7 1.5
280 1 5 8 41.6 83.201 0.431 3.08 4 196.6 67.3
281 0 2 10 41.621 83.242 0.431 3.07 4 7.2 0.1
282 0 9 1 41.948 83.896 0.434 3.04 4 8.6 0.1
283 2 8 -4 42.008 84.017 0.434 3.04 4 89.5 13.8
284 1 7 6 42.069 84.138 0.435 3.03 4 33.2 1.9
285 2 1 9 42.08 84.161 0.435 3.03 4 46.0 3.6
286 4 6 2 42.13 84.259 0.435 3.03 4 97.2 16.2
287 5 3 -6 42.151 84.302 0.436 3.02 4 4.4 0.0
288 1 3 -10 42.349 84.698 0.437 3.01 4 40.8 2.8
289 1 8 -5 42.355 84.711 0.437 3.01 4 44.7 3.4
290 2 7 5 42.37 84.741 0.437 3.01 4 15.7 0.4
291 4 2 6 42.372 84.745 0.437 3.01 4 62.1 6.6
292 2 4 8 42.373 84.745 0.437 3.01 4 104.8 18.7
293 1 9 0 42.476 84.953 0.438 3.0 4 60.7 6.2
294 5 4 -5 42.506 85.011 0.439 2.99 4 6.6 0.1
295 3 5 -8 42.591 85.182 0.439 2.99 4 194.3 63.9
296 4 1 -9 42.596 85.192 0.439 2.99 4 55.5 5.2
297 3 5 6 42.618 85.237 0.44 2.98 4 55.9 5.3
298 5 5 -2 42.691 85.382 0.44 2.98 4 71.9 8.7
299 3 1 -10 42.761 85.522 0.441 2.97 4 77.8 10.2
300 3 1 8 42.796 85.593 0.441 2.97 4 186.4 58.5
301 5 1 4 42.885 85.769 0.442 2.96 4 142.9 34.3
302 5 2 -7 42.907 85.815 0.442 2.96 4 72.5 8.8
303 3 6 -7 42.915 85.83 0.442 2.96 4 4.9 0.0
304 3 6 5 42.938 85.877 0.442 2.96 4 4.7 0.0
305 6 0 -2 42.974 85.948 0.442 2.96 2 20.6 0.4
306 0 6 8 42.998 85.996 0.443 2.95 4 78.2 10.2
307 1 4 9 43.034 86.068 0.443 2.95 4 43.0 3.1
308 3 8 -1 43.045 86.09 0.443 2.95 4 26.1 1.1
309 1 1 10 43.063 86.126 0.443 2.95 4 80.5 10.8
310 1 9 -2 43.118 86.235 0.444 2.95 4 57.7 5.6
311 5 5 0 43.34 86.68 0.446 2.93 4 30.3 1.5
312 3 4 -9 43.377 86.754 0.446 2.93 4 62.2 6.4
313 3 4 7 43.408 86.816 0.446 2.92 4 54.2 4.9
314 0 7 7 43.465 86.931 0.447 2.92 4 18.8 0.6
315 2 6 -8 43.492 86.983 0.447 2.92 4 130.1 28.0
316 6 1 -3 43.524 87.049 0.447 2.92 4 41.9 2.9
317 6 1 -1 43.532 87.064 0.447 2.92 4 29.6 1.4
318 4 7 -1 43.554 87.107 0.447 2.91 4 67.4 7.5
319 0 5 9 43.639 87.278 0.448 2.91 4 41.3 2.8
320 4 5 -7 43.712 87.423 0.449 2.9 4 51.0 4.3
321 1 9 2 43.762 87.524 0.449 2.9 4 19.1 0.6
322 2 5 -9 43.81 87.621 0.449 2.9 4 31.9 1.7
323 4 4 -8 43.854 87.708 0.45 2.89 4 75.8 9.4
324 0 9 3 43.875 87.75 0.45 2.89 4 0.6 0.0
325 6 0 -4 43.928 87.857 0.45 2.89 2 181.3 26.9
326 6 0 0 43.944 87.888 0.45 2.89 2 60.9 3.0
327 1 8 5 43.967 87.934 0.451 2.89 4 37.2 2.3
328 5 5 -4 43.968 87.937 0.451 2.89 4 155.1 39.3
329 3 8 -3 44.003 88.007 0.451 2.88 4 12.2 0.2
330 3 8 1 44.011 88.022 0.451 2.88 4 15.5 0.4
331 4 7 -3 44.19 88.379 0.452 2.87 4 59.3 5.7
332 6 2 -2 44.228 88.456 0.453 2.87 4 12.7 0.3
333 2 7 -7 44.28 88.561 0.453 2.87 4 29.5 1.4
334 3 7 -6 44.346 88.692 0.454 2.86 4 50.3 4.1
335 3 7 4 44.366 88.731 0.454 2.86 4 118.1 22.6
336 2 8 4 44.587 89.174 0.456 2.85 4 100.5 16.3
337 2 3 9 44.59 89.181 0.456 2.85 4 10.5 0.2
338 4 6 -6 44.676 89.352 0.456 2.85 4 7.1 0.1
339 2 9 -1 44.698 89.395 0.457 2.84 4 25.3 1.0
340 5 1 -8 44.77 89.539 0.457 2.84 4 167.7 45.3
341 4 7 1 44.841 89.681 0.458 2.84 4 77.8 9.7
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 1 1 0 7.89 15.779 5.61162 1934.0 100.0 100.0 5.6
2 0 2 0 8.502 17.004 5.21 1391.1 71.9 71.9 5.6
3 1 2 -1 11.033 22.065 4.02511 172.9 8.9 8.9 5.6
4 0 2 2 11.335 22.67 3.91906 60.6 3.1 3.1 5.6
5 1 1 2 11.715 23.43 3.79363 42.2 2.2 2.2 5.6
6 1 2 1 11.86 23.719 3.74809 149.7 7.7 7.7 5.6
7 0 1 3 11.996 23.993 3.70591 23.9 1.2 1.2 5.6
8 2 0 0 13.375 26.749 3.32995 73.4 3.8 3.8 5.6
9 2 1 -1 13.881 27.761 3.21082 41.1 2.1 2.1 5.6
10 2 0 -2 14.064 28.128 3.16975 255.5 13.2 13.1 5.6
11 1 2 -3 14.719 29.437 3.03173 143.1 7.4 7.3 5.6
12 0 0 4 15.012 30.023 2.97387 303.7 15.7 15.5 5.6
13 2 1 1 15.204 30.408 2.9371 23.9 1.2 1.2 5.6
14 1 3 -2 15.754 31.508 2.83702 28.7 1.5 1.5 5.6
15 1 1 -4 15.862 31.724 2.81823 39.6 2.0 2.0 5.6
16 2 2 0 15.934 31.868 2.80581 45.0 2.3 2.3 5.6
17 2 1 -3 16.416 32.832 2.72557 44.5 2.3 2.3 5.6
18 2 2 -2 16.526 33.052 2.70796 38.2 2.0 2.0 5.6
19 2 0 2 16.588 33.177 2.69805 336.5 17.4 17.2 5.6
20 1 3 2 16.945 33.89 2.6429 129.6 6.7 6.6 5.7
21 0 3 3 17.147 34.294 2.6127 26.9 1.4 1.4 5.7
22 0 2 4 17.352 34.704 2.58274 62.6 3.2 3.2 5.7
23 1 1 4 18.162 36.324 2.47121 493.1 25.5 25.1 5.7
24 2 0 -4 18.257 36.514 2.45877 313.0 16.2 15.9 5.7
25 1 4 -1 18.644 37.288 2.40951 23.2 1.2 1.2 5.7
26 0 4 2 18.833 37.666 2.38617 213.5 11.0 10.9 5.7
27 2 3 1 19.597 39.194 2.29657 20.2 1.0 1.0 5.7
28 1 3 -4 20.128 40.257 2.23838 304.9 15.8 15.5 5.7
29 2 2 -4 20.268 40.536 2.22359 555.7 28.7 28.2 5.7
30 3 1 0 20.779 41.558 2.17124 251.0 13.0 12.7 5.7
31 1 4 -3 21.145 42.291 2.13532 26.9 1.4 1.4 5.7
32 2 4 0 22.05 44.101 2.05176 520.8 26.9 26.3 5.7
33 2 0 4 22.224 44.447 2.03659 173.9 9.0 8.8 5.7
34 2 4 -2 22.503 45.007 2.01256 97.0 5.0 4.9 5.7
35 1 5 0 22.786 45.572 1.9889 162.4 8.4 8.2 5.7
36 0 4 4 23.147 46.294 1.95953 226.0 11.7 11.4 5.7
37 2 3 3 23.364 46.728 1.94235 26.3 1.4 1.3 5.7
38 3 1 -4 23.521 47.042 1.93013 244.3 12.6 12.3 5.7
39 1 5 -2 23.668 47.336 1.91881 93.1 4.8 4.7 5.7
40 2 2 4 23.96 47.919 1.89682 262.8 13.6 13.2 5.7
41 2 4 2 24.269 48.539 1.87405 80.8 4.2 4.1 5.7
42 3 3 0 24.318 48.635 1.87054 65.0 3.4 3.3 5.7
43 0 2 6 24.564 49.127 1.85296 34.4 1.8 1.7 5.7
44 2 2 -6 26.034 52.068 1.75501 39.7 2.1 2.0 5.8
45 3 3 -4 26.778 53.556 1.70969 66.6 3.4 3.3 5.8
46 3 4 -1 26.822 53.644 1.7071 58.7 3.0 2.9 5.8
47 1 5 -4 26.982 53.964 1.69773 69.9 3.6 3.5 5.8
48 1 6 -1 27.379 54.759 1.67496 25.3 1.3 1.3 5.8
49 4 1 -1 27.448 54.895 1.67111 20.6 1.1 1.0 5.8
50 0 6 2 27.52 55.04 1.66706 100.9 5.2 5.0 5.8
51 4 0 0 27.557 55.115 1.66498 179.7 9.3 9.0 5.8
52 1 6 1 27.771 55.543 1.65316 25.6 1.3 1.3 5.8
53 3 4 -3 27.993 55.986 1.64111 102.4 5.3 5.1 5.8
54 1 3 6 28.682 57.364 1.60492 81.3 4.2 4.0 5.8
55 4 1 1 28.992 57.983 1.58924 21.1 1.1 1.0 5.8
56 4 2 0 29.057 58.115 1.58596 122.3 6.3 6.1 5.8
57 2 0 6 29.209 58.418 1.57846 19.9 1.0 1.0 5.8
58 2 6 0 30.016 60.031 1.53984 237.9 12.3 11.8 5.8
59 0 3 7 30.306 60.612 1.52645 21.2 1.1 1.1 5.8
60 3 5 0 30.462 60.923 1.51941 81.0 4.2 4.0 5.8
61 2 4 -6 30.54 61.081 1.51586 31.2 1.6 1.5 5.8
62 0 6 4 30.906 61.812 1.49968 66.1 3.4 3.3 5.8
63 1 1 -8 30.966 61.932 1.49705 211.9 11.0 10.5 5.8
64 0 0 8 31.2 62.401 1.48694 74.3 3.8 3.7 5.8
65 3 3 -6 31.307 62.613 1.48239 67.8 3.5 3.3 5.8
66 3 4 3 31.36 62.719 1.48014 52.8 2.7 2.6 5.8
67 1 7 0 32.021 64.042 1.45273 20.3 1.1 1.0 5.9
68 1 5 -6 32.209 64.419 1.44514 42.4 2.2 2.1 5.9
69 0 2 8 32.596 65.193 1.42984 20.3 1.0 1.0 5.9
70 4 4 -2 32.947 65.894 1.41632 26.5 1.4 1.3 5.9
71 4 4 -4 34.674 69.347 1.35398 36.5 1.9 1.8 5.9
72 2 4 6 34.791 69.583 1.34997 24.4 1.3 1.2 5.9
73 5 1 -2 34.976 69.952 1.34375 23.2 1.2 1.1 5.9
74 1 7 -4 35.487 70.975 1.32687 47.6 2.5 2.3 5.9
75 5 1 0 35.662 71.324 1.32123 19.5 1.0 0.9 5.9
76 4 4 2 35.71 71.421 1.31967 24.5 1.3 1.2 5.9
77 2 3 7 36.118 72.235 1.30679 34.0 1.8 1.6 5.9
78 3 4 -7 36.532 73.064 1.294 22.1 1.1 1.1 6.0
79 3 5 4 36.737 73.475 1.28778 39.3 2.0 1.9 6.0
80 0 8 2 37.258 74.515 1.27235 29.4 1.5 1.4 6.0
81 4 0 -8 38.797 77.593 1.22939 20.2 1.0 1.0 6.0
82 5 3 -4 38.913 77.826 1.22628 23.0 1.2 1.1 6.0
83 4 4 4 40.017 80.034 1.19792 43.2 2.2 2.1 6.0
84 0 8 4 40.212 80.424 1.19308 45.4 2.3 2.2 6.0
85 4 6 -4 41.146 82.292 1.17067 30.8 1.6 1.5 6.1
86 1 5 8 41.6 83.201 1.16018 67.4 3.5 3.2 6.1
87 2 4 8 42.373 84.745 1.14294 31.9 1.6 1.5 6.1
88 3 5 -8 42.591 85.182 1.13819 74.3 3.8 3.5 6.1
89 3 1 8 42.796 85.593 1.13377 58.5 3.0 2.8 6.1
90 5 1 4 42.885 85.769 1.13189 43.1 2.2 2.0 6.1
91 2 6 -8 43.492 86.983 1.11919 28.0 1.4 1.3 6.1
92 6 0 -4 43.928 87.857 1.1103 29.9 1.5 1.4 6.2
93 5 5 -4 43.968 87.937 1.1095 41.6 2.2 1.9 6.2
94 3 7 4 44.366 88.731 1.1016 26.7 1.4 1.2 6.2
95 5 1 -8 44.77 89.539 1.09375 45.3 2.3 2.1 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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