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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AURICHALCITE
1, f-hydrozincite
(Cu,Zn)(5)(OH)(6)[CO(3)](2)
Monoclinic P 2(1)/m Z = 2
R =0.061 NR =408
27 .3 .1995
Ref.Str.:
Harding M.M., Kariuki B.M., Cernik R., Cressey G. (1994)
* Acta Cryst., B50, 673-676
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 13.82 alpha = 90.0
b = 6.419 beta = 101.04
c = 5.29 gamma = 90.0
Unit cell volume (cub. angs.) = 460.59
Molar volume ( cub.cm/mol.) = 138.72
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.2371 0.75 0.9282 9.0 Zn = 0.5 , Cu = 0.5
2 0.2478 0.4972 0.4206 9.0 Zn = 0.5 , Cu = 0.5
3 0.1242 0.25 0.8655 9.0 Zn = 1.00
4 0.3913 0.25 0.8839 9.0 Zn = 0.5 , Cu = 0.5
5 0.3115 0.75 0.299 6.0 O = 1.00
6 0.3282 0.9827 0.7607 4.0 O = 1.00
7 0.1804 0.25 0.5446 7.0 O = 1.00
8 0.1617 0.0009 0.1071 12.0 O = 1.00
9 0.4449 0.25 0.3653 0.0 C = 1.00
10 0.3515 0.25 0.2981 18.0 O = 1.00
11 0.4863 0.25 0.6091 40.0 O = 1.00
12 0.5009 0.25 0.1964 11.0 O = 1.00
13 0.0536 0.75 0.5141 0.0 C = 1.00
14 0.1521 0.75 0.5916 8.0 O = 1.00
15 0.0183 0.75 0.2737 7.0 O = 1.00
16 0.006 0.75 0.699 22.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.2371 0.75 0.9282
2 2 0.2478 0.4972 0.4206
3 3 0.1242 0.25 0.8655
4 4 0.3913 0.25 0.8839
5 5 0.3115 0.75 0.299
6 6 0.3282 0.9827 0.7607
7 7 0.1804 0.25 0.5446
8 8 0.1617 0.0009 0.1071
9 9 0.4449 0.25 0.3653
10 10 0.3515 0.25 0.2981
11 11 0.4863 0.25 0.6091
12 12 0.5009 0.25 0.1964
13 13 0.0536 0.75 0.5141
14 14 0.1521 0.75 0.5916
15 15 0.0183 0.75 0.2737
16 16 0.006 0.75 0.699
17 1 0.7629 0.25 0.0718
18 2 0.7522 0.9972 0.5794
19 3 0.8758 0.75 0.1345
20 4 0.6087 0.75 0.1161
21 5 0.6885 0.25 0.701
22 6 0.6718 0.4827 0.2393
23 7 0.8196 0.75 0.4554
24 8 0.8383 0.5009 0.8929
25 9 0.5551 0.75 0.6347
26 10 0.6485 0.75 0.7019
27 11 0.5137 0.75 0.3909
28 12 0.4991 0.75 0.8036
29 13 0.9464 0.25 0.4859
30 14 0.8479 0.25 0.4084
31 15 0.9817 0.25 0.7263
32 16 0.994 0.25 0.301
33 2 0.2478 0.0028 0.4206
34 6 0.3282 0.5173 0.7607
35 8 0.1617 0.4991 0.1071
36 2 0.7522 0.5028 0.5794
37 6 0.6718 0.0173 0.2393
38 8 0.8383 0.9991 0.8929
X-ray density (g/cm cub.) = 3.89
MU (1/cm) = 150.424 Mass attenuation coefficient (cm**2/g) = 38.7
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zn ,Cu 2.808 6
2.0328 5
2.2425 6
2.2255 8
1.9363 14
2.2425 6
2.2255 8
2 Zn ,Cu 2.808 6
2.0097 5
2.0124 7
2.3124 10
2.3788 14
1.9294 6
1.8468 8
3 Zn 2.628 4
1.9975 7
2.0506 8
1.966 15
2.0506 8
4 Zn ,Cu 2.808 5
1.9778 6
2.359 10
2.1373 11
2.0169 12
1.9778 6
5 O 3.264 10
2.8344 6
3.2627 6
2.6656 8
3.2569 10
3.2569 10
2.9248 14
2.7431 11
2.8344 6
3.2627 6
2.6656 8
6 O 3.264 9
3.2627 5
2.8344 5
2.7438 7
3.2064 8
3.0558 10
3.0054 11
2.8496 14
2.7669 12
2.9874 6
7 O 3.264 9
2.7438 6
2.784 8
2.9108 10
3.2485 14
3.2485 14
3.0782 15
2.6505 16
2.7438 6
2.784 8
8 O 3.264 11
2.6656 5
3.2064 6
2.784 7
3.0729 10
3.0513 14
3.1479 14
2.8226 15
3.1789 16
3.1449 16
3.1979 8
3.2211 8
9 C 1.872 3
1.2715 10
1.3069 11
1.2892 12
10 O 3.264 9
3.2569 5
3.2569 5
3.0558 6
2.9108 7
3.0729 8
2.2368 11
2.2311 12
3.0558 6
3.0729 8
11 O 3.264 6
3.0054 6
2.2368 10
3.0746 12
2.2306 12
2.7431 5
3.0054 6
12 O 3.264 5
2.2311 10
2.2306 11
3.0746 11
2.7669 6
2.7669 6
13 C 1.872 3
1.3444 14
1.2719 15
1.279 16
14 O 3.264 11
2.9248 5
2.8496 6
3.2485 7
3.2485 7
3.1479 8
3.0513 8
2.2486 15
2.1998 16
2.8496 6
3.1479 8
3.0513 8
15 O 3.264 8
2.8226 8
2.2486 14
2.2885 16
3.0122 16
3.0782 7
3.2331 16
3.2331 16
2.8226 8
16 O 3.264 10
3.1789 8
2.1998 14
3.0122 15
2.2885 15
2.6505 7
3.1449 8
3.2331 15
3.2331 15
3.1789 8
3.1449 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 0 0 3.255 6.511 0.037 617.2 2 5.8 19.8
2 2 0 0 6.521 13.043 0.074 152.08 2 127.8 2340.2
3 1 1 0 7.629 15.258 0.086 110.53 4 13.8 39.8
4 1 0 -1 8.531 17.063 0.096 87.94 2 23.2 44.6
5 0 0 1 8.532 17.063 0.096 87.93 2 9.6 7.6
6 2 1 0 9.51 19.021 0.107 70.34 4 25.3 84.6
7 2 0 -1 9.712 19.423 0.109 67.36 2 31.3 62.3
8 1 0 1 9.712 19.425 0.11 67.35 2 9.4 5.6
9 3 0 0 9.809 19.618 0.111 65.99 2 23.3 33.8
10 1 1 -1 11.0 22.0 0.124 52.03 4 14.6 20.8
11 0 1 1 11.0 22.0 0.124 52.03 4 27.2 72.3
12 3 0 -1 11.733 23.466 0.132 45.48 2 80.2 275.8
13 2 0 1 11.734 23.469 0.132 45.47 2 32.2 44.3
14 2 1 -1 11.948 23.895 0.134 43.79 4 14.8 18.0
15 1 1 1 11.948 23.897 0.134 43.78 4 14.6 17.5
16 3 1 0 12.028 24.055 0.135 43.18 4 106.4 921.8
17 4 0 0 13.129 26.259 0.147 35.91 2 39.6 53.0
18 3 1 -1 13.658 27.315 0.153 33.03 4 96.0 573.6
19 2 1 1 13.659 27.318 0.153 33.02 4 8.5 4.5
20 0 2 0 13.887 27.773 0.156 31.88 2 88.0 232.8
21 4 0 -1 14.263 28.526 0.16 30.12 2 90.5 232.4
22 3 0 1 14.265 28.529 0.16 30.11 2 41.0 47.7
23 1 2 0 14.278 28.556 0.16 30.05 4 5.5 1.7
24 4 1 0 14.886 29.772 0.167 27.49 4 37.5 72.7
25 2 2 0 15.398 30.795 0.172 25.57 4 86.0 356.8
26 4 1 -1 15.905 31.81 0.178 23.84 4 37.1 62.0
27 3 1 1 15.906 31.813 0.178 23.84 4 66.5 198.6
28 1 2 -1 16.388 32.777 0.183 22.35 4 80.4 272.2
29 0 2 1 16.389 32.777 0.183 22.35 4 90.1 341.9
30 5 0 0 16.495 32.991 0.184 22.04 2 21.7 9.8
31 1 0 -2 16.931 33.862 0.189 20.82 2 97.1 185.2
32 2 2 -1 17.059 34.118 0.19 20.49 4 130.0 652.9
33 1 2 1 17.059 34.119 0.19 20.48 4 42.2 68.8
34 5 0 -1 17.104 34.208 0.191 20.37 2 64.6 80.0
35 4 0 1 17.105 34.211 0.191 20.36 2 79.6 121.5
36 3 2 0 17.117 34.233 0.191 20.34 4 16.9 11.0
37 2 0 -2 17.26 34.519 0.193 19.97 2 26.4 13.1
38 0 0 2 17.26 34.52 0.193 19.97 2 26.8 13.5
39 5 1 0 17.954 35.908 0.2 18.32 4 61.2 129.3
40 3 0 -2 18.214 36.429 0.203 17.75 2 21.1 7.4
41 1 0 2 18.216 36.431 0.203 17.75 2 127.8 273.4
42 3 2 -1 18.335 36.669 0.204 17.5 4 11.6 4.4
43 2 2 1 18.336 36.671 0.204 17.49 4 26.8 23.8
44 1 1 -2 18.359 36.719 0.204 17.44 4 12.5 5.2
45 5 1 -1 18.52 37.041 0.206 17.11 4 45.5 66.7
46 4 1 1 18.522 37.044 0.206 17.11 4 68.5 151.5
47 2 1 -2 18.666 37.332 0.208 16.82 4 21.0 14.0
48 0 1 2 18.667 37.333 0.208 16.82 4 40.0 50.7
49 4 2 0 19.296 38.592 0.214 15.63 4 62.7 115.8
50 3 1 -2 19.561 39.123 0.217 15.16 4 5.1 0.8
51 1 1 2 19.563 39.125 0.217 15.16 4 9.8 2.8
52 4 0 -2 19.717 39.434 0.219 14.9 2 42.5 25.4
53 2 0 2 19.719 39.438 0.219 14.9 2 76.8 82.8
54 6 0 0 19.921 39.842 0.221 14.56 2 39.3 21.2
55 4 2 -1 20.118 40.235 0.223 14.25 4 91.7 226.0
56 3 2 1 20.119 40.237 0.223 14.25 4 7.1 1.3
57 6 0 -1 20.157 40.314 0.224 14.19 2 16.2 3.5
58 5 0 1 20.159 40.317 0.224 14.18 2 38.1 19.4
59 4 1 -2 20.982 41.965 0.232 12.97 4 75.8 140.4
60 2 1 2 20.984 41.969 0.232 12.97 4 41.0 41.1
61 6 1 0 21.176 42.353 0.234 12.71 4 18.3 8.0
62 1 3 0 21.374 42.748 0.237 12.44 4 6.5 1.0
63 6 1 -1 21.401 42.801 0.237 12.41 4 10.9 2.8
64 5 1 1 21.402 42.805 0.237 12.41 4 39.6 36.7
65 5 0 -2 21.673 43.347 0.24 12.06 2 25.6 7.4
66 3 0 2 21.676 43.351 0.24 12.06 2 57.0 36.9
67 5 2 0 21.825 43.651 0.241 11.87 4 21.3 10.2
68 1 2 -2 22.171 44.342 0.245 11.46 4 18.0 7.0
69 2 3 0 22.178 44.357 0.245 11.45 4 17.2 6.4
70 5 2 -1 22.309 44.618 0.246 11.3 4 7.5 1.2
71 4 2 1 22.31 44.621 0.246 11.3 4 0.4 0.0
72 2 2 -2 22.434 44.868 0.248 11.16 4 2.4 0.1
73 0 2 2 22.434 44.869 0.248 11.16 4 6.0 0.7
74 5 1 -2 22.85 45.7 0.252 10.71 4 11.5 2.7
75 3 1 2 22.852 45.705 0.252 10.7 4 9.7 1.9
76 1 3 -1 22.915 45.83 0.253 10.64 4 10.1 2.1
77 0 3 1 22.915 45.831 0.253 10.64 4 25.9 13.5
78 3 2 -2 23.209 46.418 0.256 10.34 4 60.7 71.9
79 1 2 2 23.21 46.42 0.256 10.33 4 12.6 3.1
80 7 0 -1 23.377 46.755 0.258 10.17 2 14.4 2.0
81 6 0 1 23.379 46.759 0.258 10.17 2 12.0 1.4
82 7 0 0 23.423 46.846 0.258 10.12 2 4.2 0.2
83 2 3 -1 23.426 46.852 0.258 10.12 4 2.2 0.1
84 1 3 1 23.426 46.853 0.258 10.12 4 3.2 0.2
85 3 3 0 23.47 46.941 0.259 10.08 4 59.9 68.2
86 6 0 -2 23.998 47.997 0.264 9.58 2 63.9 36.9
87 4 0 2 24.001 48.002 0.264 9.58 2 29.1 7.7
88 3 3 -1 24.423 48.845 0.268 9.21 4 60.2 63.0
89 2 3 1 24.423 48.847 0.268 9.21 4 1.8 0.1
90 4 2 -2 24.458 48.917 0.269 9.18 4 8.8 1.3
91 2 2 2 24.46 48.92 0.269 9.17 4 6.0 0.6
92 7 1 -1 24.49 48.98 0.269 9.15 4 10.8 2.0
93 6 1 1 24.492 48.984 0.269 9.15 4 7.9 1.1
94 7 1 0 24.534 49.068 0.27 9.11 4 26.8 12.3
95 6 2 0 24.631 49.261 0.271 9.03 4 10.7 2.0
96 6 2 -1 24.83 49.661 0.273 8.87 4 83.0 115.1
97 5 2 1 24.832 49.664 0.273 8.87 4 24.1 9.7
98 6 1 -2 25.09 50.18 0.275 8.66 4 9.0 1.3
99 4 1 2 25.093 50.186 0.275 8.66 4 62.9 64.7
100 4 3 0 25.193 50.386 0.276 8.58 4 16.9 4.6
101 4 3 -1 25.864 51.728 0.283 8.08 4 20.0 6.1
102 3 3 1 25.865 51.73 0.283 8.08 4 26.7 10.8
103 2 0 -3 25.96 51.921 0.284 8.01 2 12.3 1.1
104 1 0 -3 25.961 51.922 0.284 8.01 2 1.1 0.0
105 5 2 -2 26.132 52.265 0.286 7.89 4 36.6 20.0
106 3 2 2 26.134 52.269 0.286 7.89 4 55.1 45.2
107 3 0 -3 26.427 52.853 0.289 7.69 2 28.2 5.8
108 0 0 3 26.428 52.855 0.289 7.69 2 27.3 5.4
109 7 0 -2 26.628 53.256 0.291 7.56 2 66.7 31.7
110 5 0 2 26.631 53.262 0.291 7.56 2 62.3 27.7
111 8 0 -1 26.75 53.5 0.292 7.48 2 17.4 2.1
112 7 0 1 26.752 53.503 0.292 7.48 2 9.8 0.7
113 2 1 -3 26.994 53.988 0.295 7.33 4 10.7 1.6
114 1 1 -3 26.995 53.989 0.295 7.33 4 34.8 16.8
115 8 0 0 27.02 54.04 0.295 7.31 2 62.0 26.5
116 5 3 0 27.29 54.58 0.298 7.15 4 39.3 20.9
117 4 0 -3 27.342 54.685 0.298 7.12 2 38.3 9.9
118 1 0 3 27.344 54.689 0.298 7.12 2 15.1 1.5
119 3 1 -3 27.448 54.896 0.299 7.06 4 5.8 0.4
120 0 1 3 27.449 54.898 0.299 7.06 4 0.8 0.0
121 1 3 -2 27.584 55.167 0.301 6.98 4 15.9 3.3
122 7 2 -1 27.628 55.255 0.301 6.95 4 48.7 31.1
123 6 2 1 27.629 55.259 0.301 6.95 4 55.7 40.7
124 7 1 -2 27.645 55.289 0.301 6.94 4 39.4 20.4
125 5 1 2 27.648 55.295 0.301 6.94 4 16.2 3.4
126 7 2 0 27.668 55.336 0.301 6.93 4 8.6 1.0
127 5 3 -1 27.701 55.403 0.302 6.91 4 25.0 8.2
128 4 3 1 27.702 55.405 0.302 6.91 4 41.0 21.9
129 8 1 -1 27.763 55.526 0.302 6.88 4 36.3 17.0
130 7 1 1 27.765 55.53 0.302 6.88 4 23.0 6.9
131 2 3 -2 27.808 55.616 0.303 6.85 4 17.7 4.1
132 0 3 2 27.808 55.617 0.303 6.85 4 21.8 6.2
133 8 1 0 28.027 56.053 0.305 6.73 4 11.6 1.7
134 6 2 -2 28.18 56.36 0.307 6.65 4 14.6 2.7
135 4 2 2 28.182 56.365 0.307 6.65 4 30.4 11.6
136 4 1 -3 28.341 56.683 0.308 6.56 4 34.0 14.3
137 1 1 3 28.343 56.687 0.308 6.56 4 11.8 1.7
138 3 3 -2 28.474 56.948 0.309 6.49 4 2.1 0.1
139 1 3 2 28.475 56.95 0.309 6.49 4 7.6 0.7
140 5 0 -3 28.679 57.358 0.312 6.39 2 24.2 3.5
141 2 0 3 28.682 57.363 0.312 6.39 2 6.0 0.2
142 0 4 0 28.685 57.371 0.312 6.39 2 127.3 97.5
143 1 4 0 28.904 57.809 0.314 6.28 4 1.5 0.0
144 8 0 -2 29.521 59.043 0.32 5.99 2 33.0 6.1
145 6 0 2 29.525 59.049 0.32 5.98 2 40.1 9.1
146 2 4 0 29.555 59.109 0.32 5.97 4 42.4 20.2
147 4 3 -2 29.563 59.126 0.32 5.97 4 47.9 25.8
148 2 3 2 29.564 59.129 0.32 5.97 4 24.3 6.7
149 5 1 -3 29.649 59.297 0.321 5.93 4 16.8 3.1
150 2 1 3 29.651 59.302 0.321 5.93 4 18.9 4.0
151 6 3 0 29.714 59.429 0.322 5.9 4 13.4 2.0
152 6 3 -1 29.89 59.781 0.323 5.82 4 1.6 0.0
153 5 3 1 29.892 59.783 0.323 5.82 4 18.2 3.6
154 2 2 -3 29.949 59.897 0.324 5.8 4 11.6 1.5
155 1 2 -3 29.949 59.898 0.324 5.8 4 85.1 79.2
156 1 4 -1 30.159 60.318 0.326 5.71 4 13.2 1.9
157 0 4 1 30.159 60.318 0.326 5.71 4 3.9 0.2
158 9 0 -1 30.276 60.552 0.327 5.66 2 9.6 0.5
159 8 0 1 30.278 60.556 0.327 5.66 2 7.6 0.3
160 3 2 -3 30.374 60.747 0.328 5.62 4 36.4 14.0
161 0 2 3 30.375 60.75 0.328 5.62 4 9.0 0.9
162 6 0 -3 30.402 60.804 0.328 5.6 2 10.3 0.6
163 3 0 3 30.405 60.81 0.329 5.6 2 39.4 8.2
164 8 1 -2 30.474 60.948 0.329 5.57 4 20.6 4.5
165 6 1 2 30.477 60.955 0.329 5.57 4 0.4 0.0
166 7 2 -2 30.558 61.116 0.33 5.54 4 6.6 0.4
167 5 2 2 30.561 61.122 0.33 5.54 4 20.7 4.5
168 2 4 -1 30.583 61.165 0.33 5.53 4 11.5 1.4
169 1 4 1 30.583 61.166 0.33 5.53 4 3.0 0.1
170 3 4 0 30.62 61.239 0.331 5.52 4 2.8 0.1
171 8 2 -1 30.669 61.339 0.331 5.5 4 51.5 27.5
172 7 2 1 30.671 61.342 0.331 5.5 4 57.5 34.2
173 9 0 0 30.736 61.473 0.332 5.47 2 11.6 0.7
174 8 2 0 30.917 61.834 0.334 5.4 4 4.3 0.2
175 5 3 -2 31.047 62.095 0.335 5.35 4 7.9 0.6
176 3 3 2 31.049 62.098 0.335 5.35 4 7.1 0.5
177 4 2 -3 31.214 62.427 0.336 5.29 4 21.5 4.6
178 9 1 -1 31.215 62.43 0.336 5.29 4 7.2 0.5
179 1 2 3 31.215 62.431 0.336 5.29 4 63.4 40.0
180 8 1 1 31.217 62.433 0.336 5.29 4 10.4 1.1
181 6 1 -3 31.339 62.677 0.338 5.24 4 10.1 1.0
182 3 1 3 31.342 62.684 0.338 5.24 4 3.5 0.1
183 3 4 -1 31.419 62.839 0.338 5.21 4 22.2 4.8
184 2 4 1 31.42 62.84 0.338 5.21 4 9.5 0.9
185 9 1 0 31.667 63.335 0.341 5.12 4 6.1 0.4
186 4 4 0 32.075 64.151 0.345 4.98 4 12.5 1.5
187 7 3 -1 32.396 64.791 0.348 4.87 4 3.2 0.1
188 6 3 1 32.397 64.794 0.348 4.87 4 7.0 0.5
189 7 3 0 32.432 64.864 0.348 4.86 4 10.1 0.9
190 5 2 -3 32.45 64.901 0.348 4.86 4 13.7 1.7
191 2 2 3 32.453 64.906 0.348 4.86 4 8.7 0.7
192 7 0 -3 32.478 64.956 0.349 4.85 2 6.5 0.2
193 4 0 3 32.482 64.963 0.349 4.85 2 9.1 0.4
194 4 4 -1 32.652 65.304 0.35 4.79 4 29.5 7.9
195 3 4 1 32.653 65.306 0.35 4.79 4 13.7 1.7
196 9 0 -2 32.657 65.313 0.35 4.79 2 44.7 9.0
197 7 0 2 32.66 65.32 0.35 4.79 2 55.8 14.0
198 6 3 -2 32.898 65.797 0.353 4.72 4 4.5 0.2
199 4 3 2 32.901 65.801 0.353 4.71 4 32.7 9.5
200 8 2 -2 33.236 66.472 0.356 4.61 4 23.1 4.6
201 6 2 2 33.239 66.478 0.356 4.61 4 4.4 0.2
202 7 1 -3 33.382 66.764 0.357 4.57 4 18.0 2.8
203 4 1 3 33.386 66.772 0.357 4.57 4 30.3 7.9
204 9 1 -2 33.558 67.116 0.359 4.52 4 15.6 2.1
205 7 1 2 33.562 67.123 0.359 4.52 4 6.6 0.4
206 5 4 0 33.896 67.793 0.362 4.43 4 6.2 0.3
207 9 2 -1 33.943 67.887 0.362 4.41 4 10.7 1.0
208 8 2 1 33.945 67.89 0.362 4.41 4 59.9 29.8
209 10 0 -1 33.971 67.942 0.363 4.41 2 17.0 1.2
210 9 0 1 33.973 67.946 0.363 4.41 2 2.0 0.0
211 6 2 -3 34.062 68.124 0.364 4.38 4 6.0 0.3
212 3 2 3 34.065 68.13 0.364 4.38 4 16.0 2.1
213 1 4 -2 34.155 68.31 0.364 4.36 4 31.5 8.2
214 5 4 -1 34.259 68.518 0.365 4.33 4 25.0 5.1
215 4 4 1 34.26 68.52 0.365 4.33 4 22.8 4.3
216 2 4 -2 34.353 68.707 0.366 4.31 4 6.0 0.3
217 0 4 2 34.354 68.708 0.366 4.31 4 11.7 1.1
218 9 2 0 34.377 68.754 0.367 4.3 4 5.5 0.2
219 2 3 -3 34.525 69.05 0.368 4.26 4 6.5 0.3
220 1 3 -3 34.525 69.051 0.368 4.26 4 17.7 2.5
221 10 0 0 34.602 69.204 0.369 4.24 2 27.1 2.9
222 10 1 -1 34.856 69.711 0.371 4.18 4 13.3 1.4
223 9 1 1 34.858 69.716 0.371 4.18 4 3.6 0.1
224 8 0 -3 34.881 69.762 0.371 4.17 2 21.7 1.9
225 5 0 3 34.885 69.77 0.371 4.17 2 12.5 0.6
226 3 3 -3 34.919 69.839 0.372 4.16 4 4.6 0.2
227 0 3 3 34.92 69.841 0.372 4.16 4 3.9 0.1
228 3 4 -2 34.946 69.892 0.372 4.16 4 5.5 0.2
229 1 4 2 34.947 69.893 0.372 4.16 4 45.3 16.1
230 7 3 -2 35.091 70.182 0.373 4.12 4 19.8 3.1
231 5 3 2 35.094 70.187 0.373 4.12 4 9.1 0.6
232 8 3 -1 35.195 70.389 0.374 4.1 4 21.0 3.4
233 7 3 1 35.196 70.392 0.374 4.1 4 11.9 1.1
234 8 3 0 35.426 70.851 0.376 4.05 4 4.2 0.1
235 10 1 0 35.48 70.96 0.377 4.03 4 7.8 0.5
236 2 0 -4 35.623 71.245 0.378 4.0 2 9.5 0.3
237 4 3 -3 35.703 71.405 0.379 3.98 4 18.2 2.5
238 1 3 3 35.704 71.408 0.379 3.98 4 8.7 0.6
239 8 1 -3 35.755 71.511 0.379 3.97 4 0.1 0.0
240 5 1 3 35.76 71.519 0.379 3.97 4 13.0 1.3
241 3 0 -4 35.817 71.634 0.38 3.96 2 46.3 8.0
242 1 0 -4 35.818 71.636 0.38 3.96 2 12.6 0.6
243 4 4 -2 35.924 71.847 0.381 3.94 4 19.7 2.9
244 2 4 2 35.925 71.85 0.381 3.94 4 21.5 3.4
245 7 2 -3 36.027 72.054 0.382 3.91 4 27.9 5.7
246 10 0 -2 36.03 72.06 0.382 3.91 2 37.5 5.2
247 4 2 3 36.031 72.062 0.382 3.91 4 14.9 1.6
248 8 0 2 36.034 72.068 0.382 3.91 2 7.9 0.2
249 6 4 0 36.06 72.121 0.382 3.91 4 18.8 2.6
250 9 2 -2 36.197 72.395 0.383 3.88 4 6.0 0.3
251 7 2 2 36.201 72.401 0.383 3.88 4 12.5 1.1
252 6 4 -1 36.22 72.439 0.384 3.87 4 4.3 0.1
253 5 4 1 36.221 72.442 0.384 3.87 4 15.8 1.8
254 4 0 -4 36.399 72.797 0.385 3.84 2 14.7 0.8
255 0 0 4 36.4 72.801 0.385 3.84 2 19.4 1.4
256 2 1 -4 36.49 72.979 0.386 3.82 4 14.0 1.4
257 3 1 -4 36.682 73.364 0.388 3.78 4 14.2 1.4
258 1 1 -4 36.683 73.366 0.388 3.78 4 13.9 1.4
259 5 3 -3 36.864 73.729 0.389 3.75 4 14.6 1.5
260 2 3 3 36.867 73.733 0.389 3.75 4 9.1 0.6
261 10 1 -2 36.893 73.786 0.39 3.74 4 1.4 0.0
262 8 1 2 36.897 73.794 0.39 3.74 4 2.6 0.0
263 1 5 0 37.062 74.124 0.391 3.71 4 0.8 0.0
264 4 1 -4 37.259 74.517 0.393 3.67 4 7.0 0.3
265 0 1 4 37.26 74.52 0.393 3.67 4 4.0 0.1
266 5 4 -2 37.274 74.549 0.393 3.67 4 8.8 0.5
267 3 4 2 37.276 74.552 0.393 3.67 4 16.0 1.8
268 5 0 -4 37.361 74.721 0.394 3.65 2 35.0 4.2
269 1 0 4 37.363 74.726 0.394 3.65 2 20.0 1.4
270 10 2 -1 37.455 74.909 0.395 3.64 4 0.7 0.0
271 9 2 1 37.457 74.913 0.395 3.64 4 25.1 4.3
272 9 0 -3 37.594 75.188 0.396 3.61 2 17.2 1.0
273 6 0 3 37.599 75.198 0.396 3.61 2 9.2 0.3
274 8 3 -2 37.607 75.215 0.396 3.61 4 10.5 0.8
275 6 3 2 37.61 75.221 0.396 3.61 4 0.8 0.0
276 2 5 0 37.637 75.274 0.396 3.61 4 3.1 0.1
277 11 0 -1 37.863 75.726 0.398 3.57 2 19.1 1.2
278 10 0 1 37.865 75.73 0.398 3.57 2 26.9 2.4
279 10 2 0 38.062 76.123 0.4 3.53 4 15.1 1.5
280 1 5 -1 38.175 76.35 0.401 3.52 4 4.4 0.1
281 0 5 1 38.175 76.351 0.401 3.52 4 2.4 0.0
282 5 1 -4 38.213 76.425 0.402 3.51 4 4.8 0.2
283 1 1 4 38.215 76.43 0.402 3.51 4 8.6 0.5
284 9 3 -1 38.28 76.559 0.402 3.5 4 1.4 0.0
285 8 3 1 38.281 76.563 0.402 3.5 4 6.6 0.3
286 8 2 -3 38.33 76.66 0.403 3.49 4 7.9 0.4
287 5 2 3 38.334 76.668 0.403 3.49 4 8.7 0.5
288 6 3 -3 38.393 76.785 0.403 3.48 4 2.6 0.0
289 3 3 3 38.396 76.791 0.403 3.48 4 2.6 0.0
290 9 1 -3 38.444 76.889 0.404 3.47 4 12.8 1.1
291 6 1 3 38.449 76.898 0.404 3.47 4 1.4 0.0
292 7 4 -1 38.519 77.037 0.404 3.46 4 4.2 0.1
293 6 4 1 38.52 77.04 0.404 3.46 4 7.0 0.3
294 7 4 0 38.552 77.105 0.405 3.46 4 0.8 0.0
295 2 5 -1 38.555 77.109 0.405 3.46 4 5.4 0.2
296 1 5 1 38.555 77.11 0.405 3.46 4 6.1 0.2
297 3 5 0 38.588 77.176 0.405 3.45 4 17.9 2.1
298 11 0 0 38.657 77.315 0.405 3.44 2 21.3 1.5
299 6 0 -4 38.693 77.386 0.406 3.43 2 10.6 0.4
300 9 3 0 38.693 77.386 0.406 3.43 4 5.5 0.2
301 2 0 4 38.696 77.393 0.406 3.43 2 2.6 0.0
302 11 1 -1 38.711 77.423 0.406 3.43 4 8.7 0.5
303 10 1 1 38.713 77.427 0.406 3.43 4 15.7 1.6
304 6 4 -2 38.986 77.973 0.408 3.39 4 19.8 2.5
305 4 4 2 38.989 77.977 0.408 3.39 4 7.7 0.4
306 2 2 -4 39.047 78.093 0.409 3.38 4 1.8 0.0
307 3 2 -4 39.235 78.47 0.411 3.36 4 4.7 0.1
308 1 2 -4 39.236 78.471 0.411 3.36 4 21.7 3.0
309 3 5 -1 39.311 78.621 0.411 3.35 4 19.3 2.4
310 2 5 1 39.311 78.622 0.411 3.35 4 1.5 0.0
311 10 2 -2 39.441 78.882 0.412 3.33 4 8.8 0.5
312 8 2 2 39.445 78.89 0.412 3.33 4 11.1 0.8
313 11 1 0 39.5 79.001 0.413 3.32 4 14.3 1.3
314 6 1 -4 39.536 79.071 0.413 3.31 4 8.5 0.4
315 2 1 4 39.539 79.078 0.413 3.31 4 5.3 0.2
316 11 0 -2 39.655 79.311 0.414 3.3 2 2.0 0.0
317 9 0 2 39.659 79.319 0.414 3.3 2 7.8 0.2
318 4 2 -4 39.799 79.598 0.415 3.28 4 22.2 3.1
319 0 2 4 39.801 79.601 0.416 3.28 4 11.1 0.8
320 4 5 0 39.908 79.816 0.416 3.27 4 14.3 1.3
321 7 3 -3 40.277 80.554 0.42 3.22 4 11.7 0.8
322 4 3 3 40.281 80.561 0.42 3.22 4 15.7 1.5
323 7 0 -4 40.386 80.773 0.421 3.21 2 15.9 0.8
324 3 0 4 40.39 80.781 0.421 3.21 2 5.3 0.1
325 4 5 -1 40.437 80.874 0.421 3.2 4 2.6 0.0
326 3 5 1 40.438 80.876 0.421 3.2 4 13.8 1.2
327 9 3 -2 40.441 80.883 0.421 3.2 4 8.2 0.4
328 7 3 2 40.445 80.889 0.421 3.2 4 7.0 0.3
329 11 1 -2 40.493 80.985 0.422 3.2 4 7.6 0.3
330 9 1 2 40.497 80.994 0.422 3.19 4 3.1 0.1
331 2 4 -3 40.514 81.028 0.422 3.19 4 6.9 0.3
332 1 4 -3 40.514 81.029 0.422 3.19 4 3.1 0.1
333 10 0 -3 40.615 81.231 0.423 3.18 2 1.0 0.0
334 7 0 3 40.62 81.241 0.423 3.18 2 0.1 0.0
335 5 2 -4 40.735 81.471 0.424 3.17 4 8.6 0.4
336 1 2 4 40.738 81.475 0.424 3.17 4 2.6 0.0
337 3 4 -3 40.888 81.775 0.425 3.15 4 12.0 0.9
338 0 4 3 40.888 81.777 0.425 3.15 4 9.3 0.5
339 9 2 -3 40.963 81.927 0.426 3.14 4 7.4 0.3
340 6 2 3 40.968 81.936 0.426 3.14 4 8.6 0.4
341 7 4 -2 41.05 82.101 0.426 3.13 4 18.3 2.0
342 5 4 2 41.053 82.105 0.426 3.13 4 22.4 3.0
343 8 4 -1 41.149 82.298 0.427 3.12 4 9.1 0.5
344 7 4 1 41.15 82.301 0.427 3.12 4 3.0 0.1
345 7 1 -4 41.22 82.441 0.428 3.11 4 5.5 0.2
346 3 1 4 41.224 82.449 0.428 3.11 4 23.2 3.2
347 11 2 -1 41.226 82.452 0.428 3.11 4 10.7 0.7
348 10 2 1 41.228 82.456 0.428 3.11 4 8.3 0.4
349 8 4 0 41.369 82.737 0.429 3.1 4 15.3 1.4
350 10 1 -3 41.448 82.897 0.43 3.09 4 8.1 0.4
351 7 1 3 41.454 82.907 0.43 3.09 4 9.0 0.5
352 5 5 0 41.59 83.18 0.431 3.08 4 8.0 0.4
353 4 4 -3 41.633 83.265 0.431 3.07 4 12.3 0.9
354 1 4 3 41.634 83.268 0.431 3.07 4 9.1 0.5
355 10 3 -1 41.659 83.319 0.431 3.07 4 7.8 0.4
356 9 3 1 41.661 83.322 0.431 3.07 4 1.6 0.0
357 1 5 -2 41.831 83.663 0.433 3.05 4 3.0 0.1
358 5 5 -1 41.929 83.857 0.434 3.04 4 6.8 0.3
359 4 5 1 41.93 83.859 0.434 3.04 4 16.2 1.5
360 12 0 -1 41.996 83.992 0.434 3.04 2 0.6 0.0
361 11 0 1 41.998 83.997 0.434 3.04 2 0.8 0.0
362 11 2 0 42.004 84.008 0.434 3.04 4 5.6 0.2
363 2 5 -2 42.017 84.034 0.434 3.04 4 2.4 0.0
364 0 5 2 42.017 84.035 0.434 3.04 4 10.0 0.6
365 6 2 -4 42.039 84.077 0.435 3.03 4 6.1 0.2
366 2 2 4 42.042 84.084 0.435 3.03 4 5.2 0.2
367 10 3 0 42.25 84.501 0.436 3.02 4 2.1 0.0
368 8 0 -4 42.435 84.87 0.438 3.0 2 12.9 0.5
369 4 0 4 42.44 84.88 0.438 3.0 2 0.4 0.0
370 8 3 -3 42.512 85.025 0.439 2.99 4 3.6 0.1
371 5 3 3 42.516 85.033 0.439 2.99 4 8.9 0.5
372 3 5 -2 42.574 85.147 0.439 2.99 4 4.2 0.1
373 1 5 2 42.574 85.149 0.439 2.99 4 3.1 0.1
374 5 4 -3 42.746 85.493 0.441 2.97 4 8.3 0.4
375 2 4 3 42.749 85.497 0.441 2.97 4 4.1 0.1
376 12 1 -1 42.824 85.649 0.441 2.97 4 12.8 0.9
377 11 1 1 42.827 85.653 0.441 2.97 4 12.2 0.8
378 12 0 0 42.957 85.914 0.442 2.96 2 10.5 0.3
379 11 2 -2 42.985 85.97 0.443 2.96 4 20.9 2.4
380 9 2 2 42.989 85.978 0.443 2.95 4 4.1 0.1
381 2 3 -4 43.213 86.427 0.444 2.94 4 7.8 0.3
382 8 1 -4 43.262 86.525 0.445 2.93 4 8.2 0.4
383 4 1 4 43.267 86.534 0.445 2.93 4 2.8 0.0
384 3 3 -4 43.398 86.796 0.446 2.92 4 10.5 0.6
385 1 3 -4 43.399 86.798 0.446 2.92 4 5.9 0.2
386 8 4 -2 43.464 86.928 0.447 2.92 4 11.0 0.7
387 6 4 2 43.467 86.933 0.447 2.92 4 17.2 1.6
388 4 5 -2 43.499 86.999 0.447 2.92 4 12.1 0.8
389 2 5 2 43.501 87.001 0.447 2.92 4 13.7 1.0
390 12 0 -2 43.566 87.131 0.447 2.91 2 7.5 0.2
391 10 0 2 43.57 87.14 0.447 2.91 2 1.1 0.0
392 10 3 -2 43.601 87.202 0.448 2.91 4 1.8 0.0
393 8 3 2 43.604 87.209 0.448 2.91 4 1.6 0.0
394 6 5 0 43.63 87.259 0.448 2.91 4 7.2 0.3
395 7 2 -4 43.706 87.412 0.449 2.9 4 6.9 0.3
396 3 2 4 43.71 87.42 0.449 2.9 4 4.0 0.1
397 6 5 -1 43.782 87.563 0.449 2.9 4 2.3 0.0
398 5 5 1 43.783 87.566 0.449 2.9 4 8.4 0.4
399 12 1 0 43.784 87.567 0.449 2.9 4 8.3 0.4
400 10 2 -3 43.932 87.865 0.45 2.89 4 13.0 0.9
401 7 2 3 43.938 87.875 0.45 2.89 4 9.5 0.5
402 4 3 -4 43.953 87.905 0.451 2.89 4 2.9 0.0
403 0 3 4 43.954 87.909 0.451 2.89 4 3.1 0.1
404 11 0 -3 43.958 87.915 0.451 2.89 2 10.2 0.3
405 8 0 3 43.963 87.927 0.451 2.89 2 2.0 0.0
406 9 4 -1 44.116 88.233 0.452 2.88 4 4.5 0.1
407 8 4 1 44.118 88.236 0.452 2.88 4 5.8 0.2
408 6 4 -3 44.226 88.453 0.453 2.87 4 5.1 0.1
409 3 4 3 44.229 88.458 0.453 2.87 4 10.1 0.6
410 12 1 -2 44.391 88.782 0.454 2.86 4 5.4 0.2
411 10 1 2 44.396 88.791 0.454 2.86 4 1.3 0.0
412 9 4 0 44.519 89.039 0.455 2.85 4 5.2 0.1
413 11 1 -3 44.783 89.566 0.457 2.84 4 8.0 0.3
414 8 1 3 44.789 89.577 0.457 2.84 4 5.1 0.1
415 5 5 -2 44.793 89.587 0.457 2.84 4 6.6 0.2
416 3 5 2 44.795 89.59 0.457 2.84 4 1.1 0.0
417 9 0 -4 44.84 89.68 0.458 2.84 2 13.0 0.4
418 5 0 4 44.846 89.691 0.458 2.84 2 8.5 0.2
419 5 3 -4 44.876 89.753 0.458 2.83 4 6.3 0.2
420 1 3 4 44.879 89.757 0.458 2.83 4 5.0 0.1
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 2 0 0 6.521 13.043 6.78212 2340.2 100.0 100.0 5.6
2 1 1 0 7.629 15.258 5.80211 39.8 1.7 1.7 5.6
3 1 0 -1 8.531 17.063 5.19231 52.2 2.2 2.2 5.6
4 2 1 0 9.51 19.021 4.66201 84.6 3.6 3.6 5.6
5 2 0 -1 9.712 19.423 4.5663 67.9 2.9 2.9 5.6
6 3 0 0 9.809 19.618 4.52141 33.8 1.4 1.4 5.6
7 0 1 1 11.0 22.0 4.03684 93.2 4.0 4.0 5.6
8 3 0 -1 11.733 23.466 3.78786 320.2 13.7 13.6 5.6
9 2 1 -1 11.948 23.895 3.72087 35.5 1.5 1.5 5.6
10 3 1 0 12.028 24.055 3.69647 921.8 39.4 39.1 5.6
11 4 0 0 13.129 26.259 3.39106 53.0 2.3 2.2 5.6
12 3 1 -1 13.658 27.315 3.26222 578.0 24.7 24.5 5.6
13 0 2 0 13.887 27.773 3.2095 232.8 9.9 9.8 5.6
14 4 0 -1 14.263 28.526 3.12646 281.8 12.0 11.9 5.6
15 4 1 0 14.886 29.772 2.99837 72.7 3.1 3.1 5.6
16 2 2 0 15.398 30.795 2.90106 356.8 15.2 15.1 5.6
17 3 1 1 15.906 31.813 2.81055 260.6 11.1 11.0 5.6
18 0 2 1 16.389 32.777 2.73002 614.1 26.2 25.9 5.6
19 1 0 -2 16.931 33.862 2.645 185.2 7.9 7.8 5.7
20 2 2 -1 17.059 34.118 2.62578 721.8 30.8 30.4 5.7
21 4 0 1 17.105 34.211 2.61883 212.5 9.1 8.9 5.7
22 0 0 2 17.26 34.52 2.59605 26.6 1.1 1.1 5.7
23 5 1 0 17.954 35.908 2.49885 129.3 5.5 5.4 5.7
24 1 0 2 18.216 36.431 2.46414 280.8 12.0 11.8 5.7
25 1 1 -2 18.359 36.719 2.44552 33.4 1.4 1.4 5.7
26 4 1 1 18.522 37.044 2.42479 218.1 9.3 9.2 5.7
27 0 1 2 18.667 37.333 2.40668 64.7 2.8 2.7 5.7
28 4 2 0 19.296 38.592 2.331 115.8 4.9 4.9 5.7
29 2 0 2 19.719 39.438 2.28294 108.2 4.6 4.5 5.7
30 4 2 -1 20.118 40.235 2.23952 227.3 9.7 9.5 5.7
31 4 1 -2 20.982 41.965 2.15113 181.4 7.8 7.6 5.7
32 5 1 1 21.402 42.805 2.11085 39.5 1.7 1.6 5.7
33 3 0 2 21.676 43.351 2.08549 44.4 1.9 1.8 5.7
34 3 2 -2 23.209 46.418 1.95461 75.0 3.2 3.1 5.7
35 3 3 0 23.47 46.941 1.93404 68.2 2.9 2.8 5.7
36 6 0 -2 23.998 47.997 1.89393 44.6 1.9 1.8 5.7
37 3 3 -1 24.423 48.845 1.86299 63.1 2.7 2.6 5.7
38 6 2 -1 24.83 49.661 1.83429 124.8 5.3 5.2 5.7
39 4 1 2 25.093 50.186 1.81633 66.0 2.8 2.7 5.7
40 3 2 2 26.134 52.269 1.74874 65.2 2.8 2.7 5.8
41 7 0 -2 26.628 53.256 1.71861 59.4 2.5 2.4 5.8
42 8 0 0 27.02 54.04 1.69553 44.8 1.9 1.8 5.8
43 6 2 1 27.629 55.259 1.66099 95.6 4.1 3.9 5.8
44 4 3 1 27.702 55.405 1.65694 30.1 1.3 1.2 5.8
45 8 1 -1 27.763 55.526 1.65361 23.9 1.0 1.0 5.8
46 0 4 0 28.685 57.371 1.60475 101.3 4.3 4.2 5.8
47 4 3 -2 29.563 59.126 1.56123 52.7 2.3 2.2 5.8
48 1 2 -3 29.949 59.898 1.54294 80.6 3.4 3.3 5.8
49 7 2 1 30.671 61.342 1.51003 61.7 2.6 2.5 5.8
50 1 2 3 31.215 62.431 1.48629 46.2 2.0 1.9 5.8
51 7 0 2 32.66 65.32 1.42736 32.6 1.4 1.3 5.9
52 8 2 1 33.945 67.89 1.37944 31.1 1.3 1.3 5.9
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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