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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EDGARBAILEYITE
1, DN
Hg(2)Si(2)O(7)
Monoclinic C 2/m Z = 2
R =0.073 NR =690
29 .4 .1997
Ref.Str.:
Angel R.J., Cressey G., Crinddle A. (1990)
* Amer. Mineral., 75, 1192-1196
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.755 alpha = 90.0
b = 7.678 beta = 111.73
c = 5.991 gamma = 90.0
Unit cell volume (cub. angs.) = 502.29
Molar volume ( cub.cm/mol.) = 151.27
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.114 0.0 0.049 1.56 Hg = 0.5 , Hg = 0.0
2 0.1155 0.2423 0.5789 1.42 Hg = 0.25, Hg = 0.0
3 0.6491 0.0 0.105 1.2 Si = 1.00
4 0.303 0.0 0.113 1.8 O = 1.00
5 0.311 0.168 0.728 1.7 O = 1.00
6 0.5 0.0 0.0 0.1 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.114 0.0 0.049
2 2 0.1155 0.2423 0.5789
3 3 0.6491 0.0 0.105
4 4 0.303 0.0 0.113
5 5 0.311 0.168 0.728
6 6 0.5 0.0 0.0
7 1 0.886 0.0 0.951
8 2 0.8845 0.7577 0.4211
9 3 0.3509 0.0 0.895
10 4 0.697 0.0 0.887
11 5 0.689 0.832 0.272
12 2 0.1155 0.7577 0.5789
13 5 0.311 0.832 0.728
14 2 0.8845 0.2423 0.4211
15 5 0.689 0.168 0.272
16 1 0.614 0.5 0.049
17 2 0.6155 0.2577 0.5789
18 3 0.1491 0.5 0.105
19 4 0.803 0.5 0.113
20 5 0.811 0.332 0.728
21 6 0.0 0.5 0.0
22 1 0.386 0.5 0.951
23 2 0.3845 0.7423 0.4211
24 3 0.8509 0.5 0.895
25 4 0.197 0.5 0.887
26 5 0.189 0.668 0.272
27 2 0.6155 0.7423 0.5789
28 5 0.811 0.668 0.728
29 2 0.3845 0.2577 0.4211
30 5 0.189 0.332 0.272
X-ray density (g/cm cub.) = 3.76
MU (1/cm) = 875.139 Mass attenuation coefficient (cm**2/g) = 232.552
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Hg ,Hg 2.976 3
2.11 4
2.8614 5
2.8614 5
2 Hg ,Hg 2.976 3
2.2101 5
2.6326 4
2.4037 5
3 Si 2.1 4
1.6282 6
1.6023 4
1.5929 5
1.5929 5
4 O 3.264 5
2.6746 5
2.6423 6
2.6746 5
3.1853 5
3.1853 5
5 O 3.264 5
2.6746 4
2.5641 6
2.5798 5
3.1853 4
2.8643 5
6 O 3.264 6
2.6423 4
2.5641 5
2.6423 4
2.5641 5
2.5641 5
2.5641 5
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 0 8.187 16.375 0.08 95.67 4 55.6 469.1
2 0 0 1 9.249 18.498 0.09 74.5 2 78.6 365.2
3 2 0 0 9.429 18.858 0.092 71.59 2 25.6 37.3
4 2 0 -1 10.494 20.988 0.102 57.38 2 25.5 29.6
5 1 1 -1 10.993 21.987 0.107 52.1 4 56.0 259.3
6 0 2 0 13.473 26.947 0.13 33.99 2 57.3 88.5
7 1 1 1 13.671 27.342 0.132 32.96 4 62.2 202.3
8 3 1 -1 15.403 30.806 0.148 25.55 4 12.5 6.3
9 2 0 1 15.583 31.167 0.15 24.92 2 27.7 15.2
10 3 1 0 15.781 31.561 0.152 24.25 4 10.2 4.0
11 0 2 1 16.442 32.885 0.158 22.19 4 318.8 3576.5
12 2 2 0 16.548 33.097 0.159 21.88 4 1.9 0.1
13 2 2 -1 17.202 34.403 0.165 20.12 4 120.7 464.4
14 2 0 -2 17.575 35.149 0.169 19.2 2 266.9 1084.0
15 4 0 -1 17.873 35.746 0.172 18.5 2 66.7 65.3
16 0 0 2 18.75 37.5 0.18 16.65 2 162.7 349.3
17 1 1 -2 18.824 37.648 0.18 16.51 4 123.7 400.7
18 4 0 0 19.126 38.252 0.183 15.94 2 268.4 910.1
19 3 1 -2 20.161 40.323 0.193 14.18 4 37.0 30.8
20 2 2 1 20.83 41.661 0.199 13.18 4 79.2 131.1
21 1 3 0 21.036 42.073 0.201 12.9 4 58.3 69.5
22 3 1 1 21.052 42.104 0.201 12.88 4 60.0 73.4
23 4 0 -2 21.363 42.726 0.204 12.46 2 108.6 116.5
24 1 1 2 22.228 44.456 0.211 11.4 4 23.0 9.6
25 1 3 -1 22.377 44.755 0.213 11.22 4 129.2 296.8
26 2 2 -2 22.42 44.839 0.213 11.18 4 10.3 1.9
27 4 2 -1 22.664 45.328 0.215 10.91 4 184.5 588.5
28 0 2 2 23.391 46.782 0.222 10.15 4 74.0 88.3
29 5 1 -1 23.453 46.906 0.222 10.09 4 110.6 195.7
30 4 2 0 23.706 47.412 0.225 9.85 4 13.0 2.6
31 1 3 1 23.923 47.845 0.227 9.65 4 6.7 0.7
32 2 0 2 24.286 48.572 0.23 9.33 2 130.6 126.1
33 4 0 1 24.516 49.032 0.232 9.13 2 25.0 4.5
34 3 3 -1 25.038 50.076 0.237 8.7 4 30.2 12.6
35 5 1 0 25.202 50.404 0.238 8.57 4 156.5 332.8
36 3 3 0 25.292 50.584 0.239 8.5 4 50.9 35.0
37 4 2 -2 25.621 51.241 0.242 8.26 4 36.7 17.6
38 5 1 -2 25.634 51.267 0.242 8.25 4 88.4 102.2
39 2 0 -3 26.625 53.249 0.251 7.56 2 7.2 0.3
40 6 0 -1 27.197 54.393 0.255 7.21 2 46.0 12.1
41 1 3 -2 27.463 54.926 0.258 7.05 4 52.5 30.8
42 0 4 0 27.774 55.548 0.26 6.87 2 268.5 392.7
43 3 1 -3 27.883 55.765 0.261 6.81 4 11.6 1.5
44 4 0 -3 28.169 56.339 0.264 6.65 2 13.9 1.0
45 2 2 2 28.21 56.419 0.264 6.63 4 5.4 0.3
46 1 1 -3 28.215 56.43 0.264 6.63 4 108.2 123.1
47 4 2 1 28.417 56.834 0.266 6.52 4 245.8 624.7
48 3 3 -2 28.479 56.957 0.267 6.49 4 11.9 1.5
49 6 0 -2 28.515 57.029 0.267 6.47 2 251.1 323.4
50 0 0 3 28.827 57.654 0.27 6.32 2 58.8 17.3
51 3 1 2 29.05 58.099 0.271 6.21 4 102.0 102.3
52 3 3 1 29.173 58.346 0.272 6.15 4 47.4 21.9
53 6 0 0 29.438 58.875 0.275 6.02 2 23.0 2.5
54 0 4 1 29.533 59.066 0.276 5.98 4 56.0 29.7
55 2 4 0 29.6 59.2 0.276 5.95 4 26.1 6.4
56 2 4 -1 30.021 60.042 0.28 5.76 4 22.5 4.6
57 1 3 2 30.111 60.221 0.28 5.73 4 20.8 3.9
58 2 2 -3 30.337 60.675 0.282 5.63 4 256.0 585.1
59 5 1 1 30.388 60.776 0.283 5.61 4 116.8 121.3
60 6 2 -1 30.864 61.729 0.287 5.42 4 150.9 195.6
61 5 3 -1 31.111 62.222 0.289 5.33 4 136.7 157.8
62 5 1 -3 31.15 62.299 0.289 5.31 4 76.4 49.2
63 4 2 -3 31.766 63.531 0.294 5.09 4 23.3 4.4
64 1 1 3 32.076 64.152 0.297 4.98 4 6.2 0.3
65 6 2 -2 32.087 64.174 0.297 4.98 4 10.1 0.8
66 0 2 3 32.378 64.757 0.299 4.88 4 55.1 23.5
67 4 0 2 32.499 64.997 0.3 4.84 2 179.0 123.0
68 2 4 1 32.539 65.078 0.301 4.83 4 9.5 0.7
69 5 3 0 32.575 65.151 0.301 4.82 4 75.7 43.7
70 5 3 -2 32.943 65.887 0.304 4.7 4 94.0 65.8
71 6 2 0 32.95 65.9 0.304 4.7 4 22.2 3.7
72 6 0 -3 33.121 66.242 0.305 4.65 2 42.3 6.6
73 7 1 -1 33.207 66.414 0.306 4.62 4 34.2 8.6
74 2 4 -2 33.729 67.457 0.31 4.47 4 177.5 223.5
75 7 1 -2 33.783 67.567 0.311 4.46 4 48.7 16.8
76 4 4 -1 33.916 67.832 0.312 4.42 4 7.5 0.4
77 2 0 3 34.315 68.631 0.315 4.32 2 36.3 4.5
78 0 4 2 34.479 68.957 0.316 4.27 4 165.9 186.6
79 4 4 0 34.726 69.451 0.318 4.21 4 207.0 286.1
80 6 0 1 34.81 69.619 0.319 4.19 2 1.5 0.0
81 3 3 -3 34.896 69.791 0.32 4.17 4 7.2 0.3
82 1 3 -3 35.189 70.378 0.322 4.1 4 80.8 42.5
83 7 1 0 35.81 71.621 0.327 3.96 4 11.2 0.8
84 4 2 2 35.847 71.694 0.327 3.95 4 10.6 0.7
85 3 3 2 35.931 71.862 0.328 3.93 4 41.9 10.9
86 1 5 0 36.03 72.061 0.329 3.91 4 59.1 21.7
87 4 4 -2 36.261 72.523 0.331 3.86 4 98.1 59.0
88 6 2 -3 36.442 72.884 0.332 3.83 4 213.4 276.4
89 1 5 -1 36.994 73.988 0.336 3.72 4 25.4 3.8
90 2 0 -4 36.998 73.997 0.336 3.72 2 206.8 126.1
91 5 3 1 37.136 74.271 0.337 3.69 4 105.0 64.6
92 4 0 -4 37.149 74.298 0.338 3.69 2 61.5 11.1
93 7 1 -3 37.472 74.943 0.34 3.63 4 41.1 9.7
94 3 1 -4 37.482 74.963 0.34 3.63 4 29.2 4.9
95 2 2 3 37.589 75.179 0.341 3.61 4 168.8 163.3
96 5 3 -3 37.829 75.658 0.343 3.57 4 53.1 16.0
97 8 0 -2 37.866 75.732 0.343 3.57 2 107.5 32.6
98 8 0 -1 37.895 75.79 0.343 3.56 2 34.7 3.4
99 6 2 1 38.066 76.132 0.345 3.53 4 57.3 18.4
100 1 5 1 38.15 76.299 0.345 3.52 4 37.1 7.7
101 5 1 2 38.182 76.364 0.346 3.51 4 69.1 26.6
102 2 4 2 38.428 76.856 0.347 3.48 4 138.9 106.2
103 4 4 1 38.606 77.211 0.349 3.45 4 20.0 2.2
104 1 3 3 38.68 77.359 0.349 3.44 4 20.0 2.2
105 3 1 3 38.891 77.781 0.351 3.41 4 89.7 43.4
106 1 1 -4 38.915 77.83 0.351 3.4 4 76.9 31.9
107 3 5 -1 39.013 78.025 0.352 3.39 4 8.2 0.4
108 5 1 -4 39.211 78.422 0.353 3.36 4 57.0 17.3
109 3 5 0 39.212 78.425 0.353 3.36 4 25.3 3.4
110 7 3 -1 39.728 79.457 0.357 3.29 4 1.6 0.0
111 0 0 4 40.007 80.015 0.359 3.25 2 14.7 0.6
112 2 2 -4 40.19 80.38 0.361 3.23 4 43.9 9.9
113 7 3 -2 40.267 80.534 0.361 3.22 4 27.7 3.9
114 2 4 -3 40.279 80.558 0.361 3.22 4 29.3 4.4
115 4 2 -4 40.337 80.674 0.362 3.21 4 37.3 7.1
116 6 0 -4 40.448 80.897 0.363 3.2 2 162.4 66.9
117 6 4 -1 40.746 81.493 0.365 3.17 4 11.9 0.7
118 8 0 -3 40.857 81.714 0.366 3.15 2 70.8 12.5
119 8 0 0 40.943 81.885 0.366 3.14 2 143.4 51.3
120 1 5 -2 40.966 81.932 0.366 3.14 4 96.6 46.5
121 8 2 -2 41.037 82.075 0.367 3.13 4 50.6 12.7
122 8 2 -1 41.066 82.132 0.367 3.13 4 133.7 88.7
123 7 1 1 41.347 82.694 0.369 3.1 4 35.8 6.3
124 4 4 -3 41.554 83.108 0.371 3.08 4 46.5 10.6
125 3 5 -2 41.814 83.628 0.373 3.06 4 12.0 0.7
126 6 4 -2 41.844 83.689 0.373 3.05 4 166.6 134.4
127 0 4 3 42.109 84.218 0.375 3.03 4 33.0 5.2
128 7 3 0 42.183 84.367 0.375 3.02 4 10.8 0.6
129 3 5 1 42.404 84.808 0.377 3.0 4 27.4 3.6
130 4 0 3 42.523 85.046 0.378 2.99 2 41.6 4.1
131 6 4 0 42.631 85.261 0.379 2.98 4 42.2 8.4
132 6 0 2 42.812 85.625 0.38 2.97 2 96.8 22.1
133 0 2 4 43.142 86.283 0.382 2.94 4 30.8 4.4
134 1 5 2 43.212 86.424 0.383 2.94 4 18.4 1.6
135 1 1 4 43.428 86.856 0.384 2.92 4 17.6 1.4
136 6 2 -4 43.577 87.154 0.385 2.91 4 57.2 15.1
137 7 3 -3 43.778 87.557 0.387 2.9 4 81.7 30.7
138 3 3 -4 43.788 87.576 0.387 2.9 4 19.0 1.7
139 8 2 -3 43.982 87.963 0.388 2.89 4 9.8 0.4
140 7 1 -4 44.008 88.017 0.388 2.88 4 67.0 20.5
141 8 2 0 44.066 88.132 0.389 2.88 4 11.7 0.6
142 5 5 -1 44.09 88.18 0.389 2.88 4 57.3 15.0
143 9 1 -2 44.135 88.271 0.389 2.88 4 42.6 8.3
144 0 6 0 44.345 88.69 0.391 2.86 2 60.6 8.3
145 5 3 2 44.467 88.934 0.392 2.86 4 89.5 36.3
146 9 1 -1 44.722 89.445 0.393 2.84 4 72.9 24.0
X-ray diffraction powder data (I)...X-Ray wave length = 1.78892 (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 8.187 16.375 6.2808 469.1 13.1 13.3 5.6
2 0 0 1 9.249 18.498 5.56527 365.2 10.2 10.3 5.6
3 2 0 0 9.429 18.858 5.45984 37.3 1.0 1.1 5.6
4 1 1 -1 10.993 21.987 4.69055 259.3 7.2 7.3 5.6
5 0 2 0 13.473 26.947 3.839 88.5 2.5 2.5 5.6
6 1 1 1 13.671 27.342 3.78449 202.3 5.7 5.7 5.6
7 0 2 1 16.442 32.885 3.16008 3576.5 100.0 100.0 5.6
8 2 2 -1 17.202 34.403 3.02453 464.4 13.0 13.0 5.7
9 2 0 -2 17.575 35.149 2.96232 1084.0 30.3 30.2 5.7
10 4 0 -1 17.873 35.746 2.91442 65.3 1.8 1.8 5.7
11 0 0 2 18.75 37.5 2.78264 349.3 9.8 9.7 5.7
12 1 1 -2 18.824 37.648 2.77213 400.7 11.2 11.2 5.7
13 4 0 0 19.126 38.252 2.72992 910.1 25.4 25.3 5.7
14 2 2 1 20.83 41.661 2.51534 131.1 3.7 3.6 5.7
15 3 1 1 21.052 42.104 2.49004 142.9 4.0 4.0 5.7
16 4 0 -2 21.363 42.726 2.45547 116.5 3.3 3.2 5.7
17 1 3 -1 22.377 44.755 2.34949 296.8 8.3 8.2 5.7
18 4 2 -1 22.664 45.328 2.32129 588.5 16.5 16.3 5.7
19 0 2 2 23.391 46.782 2.25303 88.3 2.5 2.4 5.7
20 5 1 -1 23.453 46.906 2.24739 195.7 5.5 5.4 5.7
21 2 0 2 24.286 48.572 2.17478 126.1 3.5 3.5 5.7
22 5 1 0 25.202 50.404 2.10061 332.8 9.3 9.1 5.8
23 5 1 -2 25.634 51.267 2.06756 119.8 3.3 3.3 5.8
24 0 4 0 27.774 55.548 1.9195 392.7 11.0 10.7 5.8
25 1 1 -3 28.215 56.43 1.89192 123.1 3.4 3.4 5.8
26 4 2 1 28.417 56.834 1.87958 624.7 17.5 17.0 5.8
27 6 0 -2 28.515 57.029 1.87367 323.4 9.0 8.8 5.8
28 3 1 2 29.05 58.099 1.8421 102.3 2.9 2.8 5.8
29 2 2 -3 30.337 60.675 1.77089 585.1 16.4 15.8 5.8
30 5 1 1 30.388 60.776 1.76822 121.3 3.4 3.3 5.8
31 6 2 -1 30.864 61.729 1.74356 195.6 5.5 5.3 5.8
32 5 3 -1 31.111 62.222 1.73111 157.8 4.4 4.3 5.8
33 5 1 -3 31.15 62.299 1.72918 49.2 1.4 1.3 5.8
34 4 0 2 32.499 64.997 1.6648 123.0 3.4 3.3 5.9
35 5 3 0 32.575 65.151 1.6613 43.7 1.2 1.2 5.9
36 5 3 -2 32.943 65.887 1.64481 69.5 1.9 1.9 5.9
37 2 4 -2 33.729 67.457 1.61088 223.5 6.2 6.0 5.9
38 0 4 2 34.479 68.957 1.58004 186.6 5.2 5.0 5.9
39 4 4 0 34.726 69.451 1.5702 286.1 8.0 7.6 5.9
40 1 3 -3 35.189 70.378 1.55215 42.5 1.2 1.1 5.9
41 4 4 -2 36.261 72.523 1.51227 59.0 1.6 1.6 5.9
42 6 2 -3 36.442 72.884 1.5058 276.4 7.7 7.3 6.0
43 2 0 -4 36.998 73.997 1.48632 129.9 3.6 3.4 6.0
44 5 3 1 37.136 74.271 1.48162 75.7 2.1 2.0 6.0
45 2 2 3 37.589 75.179 1.46633 163.3 4.6 4.3 6.0
46 8 0 -2 37.866 75.732 1.45721 36.1 1.0 1.0 6.0
47 2 4 2 38.428 76.856 1.43912 106.2 3.0 2.8 6.0
48 3 1 3 38.891 77.781 1.42467 75.3 2.1 2.0 6.0
49 6 0 -4 40.448 80.897 1.37872 66.9 1.9 1.7 6.1
50 8 0 0 40.943 81.885 1.36496 97.8 2.7 2.5 6.1
51 8 2 -1 41.066 82.132 1.36159 101.4 2.8 2.6 6.1
52 6 4 -2 41.844 83.689 1.3408 134.4 3.8 3.5 6.1
53 5 3 2 44.467 88.934 1.2769 36.3 1.0 0.9 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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