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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WATTERSITE
1
Hg(5)CrO(6)
Monoclinic C 2/c Z = 4
R =0.055 NR =1261
11 .10 .1995
Ref.Str.:
Groat L.A., Roberts A.C., Page Y. (1995)
* Canad. Mineral., 33, 41-46
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.274 alpha = 90.0
b = 11.669 beta = 98.19
c = 6.603 gamma = 90.0
Unit cell volume (cub. angs.) = 859.81
Molar volume ( cub.cm/mol.) = 129.47
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 1.35 Hg = 1.00
2 0.2729 0.0774 0.2988 2.5 Hg = 1.00
3 0.3363 0.2767 0.2099 1.93 Hg = 1.00
4 0.5 0.8167 0.25 1.33 Cr = 1.00
5 0.3579 0.4508 0.1458 2.64 O = 1.00
6 0.5052 0.7335 0.0451 1.92 O = 1.00
7 0.3708 0.894 0.2049 2.68 O = 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 0.2729 0.0774 0.2988
3 3 0.3363 0.2767 0.2099
4 4 0.5 0.8167 0.25
5 5 0.3579 0.4508 0.1458
6 6 0.5052 0.7335 0.0451
7 7 0.3708 0.894 0.2049
8 2 0.7271 0.9226 0.7012
9 3 0.6637 0.7233 0.7901
10 4 0.5 0.1833 0.75
11 5 0.6421 0.5492 0.8542
12 6 0.4948 0.2665 0.9549
13 7 0.6292 0.106 0.7951
14 1 0.0 0.0 0.5
15 2 0.2729 0.9226 0.7988
16 3 0.3363 0.7233 0.7099
17 5 0.3579 0.5492 0.6458
18 6 0.5052 0.2665 0.5451
19 7 0.3708 0.106 0.7049
20 2 0.7271 0.0774 0.2012
21 3 0.6637 0.2767 0.2901
22 5 0.6421 0.4508 0.3542
23 6 0.4948 0.7335 0.4549
24 7 0.6292 0.894 0.2951
25 1 0.5 0.5 0.5
26 2 0.7729 0.4226 0.7988
27 3 0.8363 0.2233 0.7099
28 4 0.0 0.6833 0.75
29 5 0.8579 0.0492 0.6458
30 6 0.0052 0.7665 0.5451
31 7 0.8708 0.606 0.7049
32 2 0.2271 0.5774 0.2012
33 3 0.1637 0.7767 0.2901
34 4 0.0 0.3167 0.25
35 5 0.1421 0.9508 0.3542
36 6 0.9948 0.2335 0.4549
37 7 0.1292 0.394 0.2951
38 1 0.5 0.5 0.0
39 2 0.7729 0.5774 0.2988
40 3 0.8363 0.7767 0.2099
41 5 0.8579 0.9508 0.1458
42 6 0.0052 0.2335 0.0451
43 7 0.8708 0.394 0.2049
44 2 0.2271 0.4226 0.7012
45 3 0.1637 0.2233 0.7901
46 5 0.1421 0.0492 0.8542
47 6 0.9948 0.7665 0.9549
48 7 0.1292 0.606 0.7951
X-ray density (g/cm cub.) = 8.89
MU (1/cm) = 1785.944 Mass attenuation coefficient (cm**2/g) = 200.931
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Hg 2.976 6
2.7016 5
2.7016 5
2.0646 5
2.7407 6
2.0646 5
2.7407 6
2 Hg 2.976 3
2.5254 7
2.7707 7
2.1551 5
3 Hg 2.976 4
2.0964 5
2.6267 6
2.7089 6
2.8312 7
4 Cr 2.628 4
1.673 6
1.7031 7
1.673 6
1.7031 7
5 O 3.264 2
3.025 6
2.9637 7
6 O 3.264 4
2.7152 7
3.025 5
2.7251 6
2.744 7
7 O 3.264 4
2.7152 6
2.744 6
2.8891 7
2.9637 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 1 1 0 5.481 10.961 0.062 216.27 4 241.4 6821.0
2 0 2 0 7.586 15.173 0.086 111.79 2 12.8 4.9
3 2 0 0 7.935 15.871 0.09 101.99 2 390.2 4202.0
4 1 1 -1 8.271 16.542 0.093 93.7 4 246.5 3080.9
5 1 1 1 9.158 18.316 0.103 76.03 4 158.5 1033.4
6 0 2 1 10.194 20.387 0.115 60.94 4 118.3 461.2
7 2 2 0 11.012 22.025 0.124 51.91 4 104.0 303.9
8 1 3 0 12.106 24.212 0.136 42.6 4 220.8 1123.2
9 2 2 -1 12.35 24.699 0.139 40.85 4 469.6 4875.2
10 3 1 0 12.553 25.107 0.141 39.47 4 329.3 2316.4
11 3 1 -1 13.46 26.919 0.151 34.07 4 582.2 6248.5
12 2 2 1 13.565 27.131 0.152 33.51 4 249.4 1127.8
13 1 3 -1 13.633 27.266 0.153 33.16 4 366.7 2412.8
14 0 0 2 13.634 27.268 0.153 33.15 2 691.1 4284.3
15 1 1 -2 14.185 28.369 0.159 30.48 4 14.1 3.3
16 1 3 1 14.202 28.403 0.159 30.4 4 107.8 191.1
17 2 0 -2 14.811 29.623 0.166 27.79 2 615.0 2843.7
18 3 1 1 15.125 30.251 0.169 26.57 4 707.3 7190.9
19 1 1 2 15.265 30.53 0.171 26.05 4 611.3 5267.3
20 0 4 0 15.31 30.62 0.171 25.88 2 470.9 1552.6
21 0 2 2 15.674 31.349 0.175 24.61 4 426.4 2421.1
22 4 0 0 16.028 32.056 0.179 23.45 2 408.4 1058.1
23 3 3 0 16.65 33.301 0.186 21.59 4 516.5 3117.3
24 2 2 -2 16.721 33.442 0.187 21.4 4 477.7 2642.4
25 0 4 1 16.807 33.614 0.188 21.16 4 720.1 5936.5
26 2 0 2 16.837 33.673 0.188 21.08 2 968.9 5353.3
27 2 4 0 17.335 34.67 0.193 19.78 4 262.4 736.8
28 3 1 -2 17.347 34.693 0.194 19.75 4 397.9 1692.0
29 3 3 -1 17.361 34.722 0.194 19.72 4 373.2 1486.1
30 4 2 0 17.821 35.643 0.199 18.62 4 578.4 3370.5
31 1 3 -2 17.943 35.886 0.2 18.34 4 296.0 869.7
32 2 4 -1 18.246 36.493 0.203 17.68 4 445.2 1896.6
33 4 2 -1 18.271 36.541 0.204 17.63 4 487.6 2268.5
34 2 2 2 18.561 37.122 0.207 17.03 4 80.3 59.4
35 3 3 1 18.714 37.429 0.208 16.72 4 131.9 157.4
36 1 3 2 18.83 37.661 0.21 16.5 4 214.4 410.2
37 2 4 1 19.122 38.243 0.213 15.95 4 437.9 1654.3
38 4 0 -2 19.666 39.332 0.218 14.99 2 222.7 201.0
39 1 5 0 19.706 39.412 0.219 14.92 4 439.4 1558.3
40 3 1 2 19.976 39.952 0.222 14.47 4 10.8 0.9
41 4 2 1 19.987 39.973 0.222 14.46 4 276.0 595.8
42 5 1 0 20.573 41.145 0.228 13.56 4 4.9 0.2
43 3 3 -2 20.597 41.193 0.228 13.52 4 15.6 1.8
44 1 5 -1 20.728 41.457 0.23 13.33 4 228.8 377.7
45 0 4 2 20.729 41.458 0.23 13.33 4 112.1 90.7
46 5 1 -1 20.772 41.544 0.23 13.27 4 102.9 76.1
47 1 1 -3 20.893 41.786 0.231 13.1 4 228.2 368.9
48 1 5 1 21.127 42.253 0.234 12.77 4 228.1 359.7
49 4 2 -2 21.193 42.385 0.235 12.68 4 342.6 805.7
50 2 4 -2 21.563 43.125 0.239 12.2 4 112.6 83.7
51 1 1 3 22.063 44.125 0.244 11.59 4 42.0 11.0
52 0 2 3 22.174 44.348 0.245 11.46 4 38.4 9.1
53 4 4 0 22.46 44.92 0.248 11.13 4 47.7 13.7
54 2 2 -3 22.593 45.186 0.249 10.98 4 398.6 944.2
55 5 1 1 22.703 45.405 0.251 10.86 4 362.8 773.8
56 4 0 2 22.814 45.628 0.252 10.74 2 91.7 24.4
57 4 4 -1 22.833 45.665 0.252 10.73 4 268.7 419.0
58 3 1 -3 22.898 45.796 0.253 10.66 4 218.5 275.2
59 3 3 2 22.912 45.824 0.253 10.64 4 42.8 10.6
60 3 5 0 22.932 45.864 0.253 10.62 4 280.6 452.3
61 2 4 2 23.075 46.15 0.254 10.47 4 421.3 1005.8
62 5 1 -2 23.253 46.506 0.256 10.29 4 291.1 471.9
63 0 6 0 23.332 46.665 0.257 10.21 2 402.2 446.9
64 5 3 0 23.448 46.896 0.258 10.1 4 135.4 100.1
65 3 5 -1 23.481 46.962 0.259 10.07 4 286.5 447.0
66 5 3 -1 23.628 47.256 0.26 9.92 4 118.5 75.4
67 1 3 -3 23.737 47.475 0.261 9.82 4 638.6 2167.1
68 1 5 -2 23.938 47.875 0.263 9.64 4 118.1 72.7
69 4 2 2 24.18 48.359 0.266 9.42 4 109.1 60.6
70 4 4 1 24.283 48.565 0.267 9.33 4 222.4 249.6
71 0 6 1 24.408 48.816 0.268 9.22 4 276.8 382.3
72 6 0 0 24.467 48.934 0.269 9.17 2 469.0 545.7
73 3 5 1 24.553 49.105 0.27 9.1 4 446.8 982.7
74 1 5 2 24.646 49.292 0.271 9.02 4 54.7 14.6
75 2 2 3 24.76 49.52 0.272 8.92 4 1.4 0.0
76 2 6 0 24.799 49.598 0.272 8.89 4 686.8 2269.6
77 1 3 3 24.801 49.602 0.272 8.89 4 379.1 691.2
78 4 4 -2 25.325 50.65 0.278 8.48 4 631.2 1827.7
79 5 3 1 25.388 50.775 0.278 8.43 4 150.7 103.6
80 2 6 -1 25.488 50.977 0.279 8.35 4 42.0 8.0
81 3 3 -3 25.567 51.135 0.28 8.3 4 424.3 808.1
82 6 2 -1 25.765 51.53 0.282 8.15 4 416.9 766.5
83 6 2 0 25.766 51.532 0.282 8.15 4 347.8 533.5
84 5 3 -2 25.894 51.789 0.283 8.06 4 160.4 112.2
85 4 2 -3 25.905 51.81 0.284 8.05 4 387.6 654.3
86 3 1 3 26.069 52.138 0.285 7.94 4 468.2 941.3
87 3 5 -2 26.095 52.189 0.286 7.92 4 462.8 917.7
88 2 6 1 26.166 52.331 0.286 7.87 4 138.5 81.7
89 0 4 3 26.186 52.372 0.286 7.86 4 445.7 844.5
90 6 0 -2 26.513 53.027 0.29 7.64 2 241.7 120.6
91 2 4 -3 26.557 53.114 0.29 7.61 4 181.7 135.9
92 5 1 2 26.724 53.447 0.292 7.5 4 458.3 852.5
93 0 6 2 27.445 54.89 0.299 7.06 4 607.2 1408.1
94 5 1 -3 27.536 55.072 0.3 7.01 4 170.9 110.7
95 6 2 -2 27.744 55.488 0.302 6.89 4 696.5 1807.9
96 6 2 1 27.747 55.495 0.302 6.89 4 295.1 324.4
97 1 7 0 27.853 55.706 0.303 6.83 4 51.8 9.9
98 4 4 2 27.976 55.953 0.305 6.76 4 274.1 274.7
99 3 5 2 28.061 56.122 0.305 6.71 4 748.1 2032.6
100 1 1 -4 28.117 56.234 0.306 6.68 4 483.1 843.8
101 2 6 -2 28.125 56.25 0.306 6.68 4 170.8 105.4
102 0 0 4 28.127 56.255 0.306 6.68 2 557.8 562.0
103 2 0 -4 28.163 56.326 0.306 6.66 2 274.6 135.8
104 2 4 3 28.501 57.003 0.31 6.48 4 239.2 200.6
105 3 3 3 28.52 57.04 0.31 6.47 4 73.9 19.1
106 5 5 0 28.526 57.051 0.31 6.47 4 429.4 645.1
107 1 7 -1 28.648 57.296 0.311 6.4 4 88.9 27.4
108 5 5 -1 28.682 57.365 0.312 6.39 4 131.8 60.1
109 1 5 -3 28.778 57.556 0.312 6.34 4 134.8 62.4
110 4 6 0 28.869 57.738 0.313 6.29 4 62.5 13.3
111 1 7 1 28.963 57.925 0.314 6.25 4 109.7 40.7
112 7 1 -1 29.031 58.062 0.315 6.22 4 124.5 52.2
113 5 3 2 29.137 58.275 0.316 6.16 4 298.5 297.3
114 4 6 -1 29.181 58.362 0.316 6.14 4 275.9 253.1
115 7 1 0 29.188 58.377 0.317 6.14 4 466.3 722.3
116 0 2 4 29.312 58.625 0.318 6.08 4 14.4 0.7
117 2 2 -4 29.347 58.694 0.318 6.07 4 117.8 45.5
118 1 1 4 29.377 58.754 0.318 6.05 4 162.2 86.2
119 2 6 2 29.385 58.77 0.319 6.05 4 246.2 198.4
120 6 4 -1 29.417 58.833 0.319 6.03 4 8.0 0.2
121 6 4 0 29.418 58.836 0.319 6.03 4 562.5 1032.7
122 3 1 -4 29.446 58.892 0.319 6.02 4 53.0 9.1
123 4 4 -3 29.545 59.09 0.32 5.97 4 142.4 65.6
124 1 5 3 29.713 59.425 0.322 5.9 4 157.9 79.6
125 4 2 3 29.768 59.535 0.322 5.87 4 35.5 4.0
126 5 3 -3 29.906 59.812 0.324 5.81 4 38.9 4.8
127 5 5 1 30.233 60.467 0.327 5.67 4 351.1 378.4
128 6 0 2 30.324 60.648 0.328 5.64 2 172.2 45.2
129 3 5 -3 30.394 60.787 0.328 5.61 4 3.6 0.0
130 4 6 1 30.413 60.826 0.329 5.6 4 116.6 41.2
131 3 7 0 30.421 60.843 0.329 5.6 4 375.2 426.2
132 1 3 -4 30.458 60.917 0.329 5.58 4 98.8 29.5
133 2 0 4 30.648 61.295 0.331 5.51 2 148.3 32.8
134 5 5 -2 30.686 61.372 0.331 5.49 4 249.6 185.1
135 7 1 -2 30.719 61.438 0.332 5.48 4 45.0 6.0
136 4 0 -4 30.749 61.497 0.332 5.47 2 158.7 37.3
137 3 7 -1 30.875 61.749 0.333 5.42 4 72.3 15.3
138 7 1 1 31.174 62.348 0.336 5.3 4 75.2 16.2
139 6 4 -2 31.242 62.484 0.337 5.28 4 126.1 45.4
140 6 4 1 31.245 62.49 0.337 5.27 4 111.6 35.6
141 1 7 -2 31.255 62.51 0.337 5.27 4 576.0 946.2
142 4 6 -2 31.314 62.629 0.337 5.25 4 255.3 185.2
143 7 3 -1 31.33 62.659 0.338 5.24 4 418.7 497.5
144 6 2 -3 31.452 62.904 0.339 5.2 4 344.2 333.3
145 6 2 2 31.457 62.914 0.339 5.2 4 485.3 662.3
146 7 3 0 31.48 62.96 0.339 5.19 4 168.9 80.1
147 1 3 4 31.66 63.321 0.341 5.12 4 243.8 164.7
148 3 3 -4 31.726 63.453 0.341 5.1 4 288.1 229.1
149 3 7 1 31.772 63.544 0.342 5.08 4 105.1 30.4
150 2 2 4 31.774 63.549 0.342 5.08 4 433.6 517.1
151 1 7 2 31.851 63.702 0.343 5.06 4 46.1 5.8
152 4 2 -4 31.873 63.747 0.343 5.05 4 596.1 971.0
153 0 8 0 31.876 63.752 0.343 5.05 2 8.7 0.1
154 0 6 3 32.068 64.136 0.345 4.98 4 181.1 88.5
155 5 1 3 32.156 64.311 0.345 4.95 4 427.1 488.9
156 2 6 -3 32.395 64.79 0.348 4.87 4 173.5 79.4
157 0 4 4 32.707 65.414 0.351 4.78 4 264.2 180.3
158 2 4 -4 32.739 65.479 0.351 4.76 4 361.3 336.5
159 0 8 1 32.757 65.514 0.351 4.76 4 101.9 26.7
160 7 3 -2 32.948 65.896 0.353 4.7 4 249.0 157.7
161 3 1 4 33.042 66.084 0.354 4.67 4 414.8 435.0
162 3 5 3 33.067 66.133 0.354 4.66 4 323.5 264.1
163 2 8 0 33.082 66.163 0.354 4.66 4 324.1 264.9
164 3 7 -2 33.089 66.178 0.354 4.66 4 150.9 57.4
165 4 4 3 33.135 66.27 0.355 4.64 4 95.9 23.1
166 5 1 -4 33.171 66.343 0.355 4.63 4 265.8 177.1
167 7 3 1 33.386 66.772 0.357 4.57 4 376.5 350.4
168 8 0 0 33.519 67.039 0.358 4.53 2 273.4 91.6
169 5 5 2 33.634 67.269 0.36 4.5 4 189.3 87.3
170 2 8 -1 33.659 67.318 0.36 4.49 4 115.0 32.1
171 4 6 2 33.66 67.32 0.36 4.49 4 204.6 101.8
172 7 1 -3 34.091 68.182 0.364 4.37 4 262.8 163.5
173 2 6 3 34.133 68.266 0.364 4.36 4 196.9 91.5
174 2 8 1 34.232 68.464 0.365 4.34 4 52.1 6.4
175 8 2 -1 34.31 68.62 0.366 4.32 4 110.5 28.5
176 5 3 3 34.334 68.669 0.366 4.31 4 41.5 4.0
177 5 5 -3 34.346 68.691 0.366 4.31 4 89.9 18.8
178 8 2 0 34.596 69.192 0.369 4.24 4 307.2 216.8
179 8 0 -2 34.66 69.32 0.369 4.23 2 176.2 35.5
180 6 4 -3 34.728 69.457 0.37 4.21 4 71.5 11.6
181 6 4 2 34.734 69.467 0.37 4.21 4 43.0 4.2
182 7 1 2 34.808 69.616 0.371 4.19 4 64.4 9.4
183 3 7 2 34.809 69.619 0.371 4.19 4 123.5 34.6
184 1 5 -4 34.859 69.718 0.371 4.18 4 190.1 81.7
185 6 6 -1 34.963 69.926 0.372 4.15 4 322.1 233.2
186 6 6 0 34.964 69.928 0.372 4.15 4 196.8 87.0
187 2 4 4 35.035 70.071 0.373 4.14 4 52.1 6.1
188 4 6 -3 35.08 70.16 0.373 4.13 4 270.2 163.0
189 4 4 -4 35.13 70.259 0.374 4.11 4 138.8 42.9
190 3 3 4 35.193 70.386 0.374 4.1 4 320.4 227.7
191 5 7 0 35.222 70.444 0.374 4.09 4 225.3 112.4
192 5 3 -4 35.319 70.637 0.375 4.07 4 287.5 182.0
193 0 8 2 35.331 70.663 0.375 4.07 4 321.0 226.7
194 5 7 -1 35.362 70.723 0.376 4.06 4 115.9 29.5
195 4 0 4 35.4 70.801 0.376 4.05 2 282.3 87.4
196 1 7 -3 35.447 70.894 0.376 4.04 4 89.1 17.4
197 6 0 -4 35.557 71.113 0.377 4.02 2 58.0 3.7
198 7 5 -1 35.673 71.346 0.379 3.99 4 77.8 13.1
199 8 2 -2 35.72 71.44 0.379 3.98 4 58.9 7.5
200 7 5 0 35.814 71.628 0.38 3.96 4 110.3 26.1
201 2 8 -2 35.924 71.847 0.381 3.94 4 29.8 1.9
202 1 1 -5 35.958 71.916 0.381 3.93 4 91.2 17.7
203 1 5 4 35.984 71.967 0.381 3.92 4 229.3 111.6
204 3 5 -4 36.046 72.092 0.382 3.91 4 177.9 67.0
205 7 3 -3 36.213 72.426 0.383 3.87 4 287.1 172.9
206 1 7 3 36.286 72.572 0.384 3.86 4 104.5 22.8
207 4 2 4 36.451 72.903 0.386 3.83 4 5.5 0.1
208 8 2 1 36.56 73.119 0.387 3.8 4 38.9 3.1
209 4 8 0 36.578 73.155 0.387 3.8 4 68.0 9.5
210 6 2 -4 36.606 73.212 0.387 3.8 4 157.6 51.0
211 6 2 3 36.613 73.226 0.387 3.79 4 83.2 14.2
212 6 6 -2 36.64 73.279 0.387 3.79 4 20.9 0.9
213 6 6 1 36.643 73.285 0.387 3.79 4 299.2 183.5
214 1 9 0 36.733 73.467 0.388 3.77 4 342.8 239.7
215 5 7 1 36.757 73.515 0.388 3.77 4 165.6 55.9
216 4 8 -1 36.854 73.708 0.389 3.75 4 405.0 332.6
217 3 1 -5 36.854 73.708 0.389 3.75 4 17.2 0.6
218 3 7 -3 36.903 73.806 0.39 3.74 4 6.3 0.1
219 2 2 -5 36.904 73.808 0.39 3.74 4 181.4 66.5
220 7 3 2 36.912 73.824 0.39 3.74 4 98.7 19.7
221 2 8 2 37.035 74.07 0.391 3.71 4 135.2 36.7
222 0 2 5 37.15 74.299 0.392 3.69 4 40.0 3.2
223 5 7 -2 37.169 74.338 0.392 3.69 4 83.8 14.0
224 7 5 -2 37.199 74.398 0.392 3.68 4 75.3 11.3
225 1 1 5 37.345 74.689 0.394 3.66 4 115.7 26.5
226 1 9 -1 37.423 74.846 0.394 3.64 4 92.2 16.7
227 8 4 -1 37.466 74.932 0.395 3.64 4 158.1 49.2
228 7 5 1 37.615 75.23 0.396 3.61 4 62.3 7.6
229 1 9 1 37.698 75.395 0.397 3.59 4 72.0 10.1
230 8 4 0 37.742 75.483 0.397 3.59 4 37.3 2.7
231 4 8 1 37.955 75.91 0.399 3.55 4 227.9 99.8
232 0 6 4 38.005 76.009 0.4 3.54 4 14.4 0.4
233 2 6 -4 38.035 76.07 0.4 3.54 4 242.4 112.5
234 1 3 -5 38.036 76.073 0.4 3.54 4 488.8 457.4
235 9 1 -1 38.253 76.507 0.402 3.5 4 194.5 71.7
236 4 6 3 38.406 76.813 0.403 3.48 4 82.4 12.8
237 5 5 3 38.518 77.037 0.404 3.46 4 389.2 283.7
238 9 1 0 38.663 77.327 0.406 3.44 4 132.0 32.4
239 8 2 -3 38.749 77.498 0.406 3.43 4 123.6 28.3
240 5 1 4 38.768 77.536 0.406 3.42 4 19.6 0.7
241 4 8 -2 38.771 77.541 0.406 3.42 4 444.8 366.4
242 8 4 -2 38.83 77.66 0.407 3.41 4 232.6 99.9
243 4 2 -5 38.914 77.827 0.408 3.4 4 178.5 58.6
244 3 3 -5 38.915 77.83 0.408 3.4 4 316.6 184.5
245 7 1 -4 38.949 77.899 0.408 3.4 4 125.3 28.8
246 3 9 0 38.988 77.975 0.408 3.39 4 98.2 17.7
247 8 0 2 39.091 78.182 0.409 3.38 2 385.7 135.9
248 3 5 4 39.342 78.683 0.412 3.34 4 199.0 71.6
249 3 7 3 39.364 78.729 0.412 3.34 4 81.4 12.0
250 3 9 -1 39.393 78.787 0.412 3.33 4 37.4 2.5
251 1 3 5 39.397 78.794 0.412 3.33 4 434.8 341.1
252 0 8 3 39.459 78.918 0.413 3.33 4 104.9 19.8
253 5 5 -4 39.462 78.924 0.413 3.32 4 94.1 15.9
254 9 1 -2 39.474 78.948 0.413 3.32 4 340.7 208.7
255 4 4 4 39.541 79.081 0.413 3.31 4 267.4 128.3
256 2 2 5 39.636 79.273 0.414 3.3 4 126.2 28.5
257 8 4 1 39.646 79.292 0.414 3.3 4 46.5 3.9
258 6 4 -4 39.691 79.382 0.415 3.29 4 340.1 206.2
259 6 4 3 39.698 79.396 0.415 3.29 4 214.5 82.0
260 1 9 -2 39.736 79.472 0.415 3.29 4 32.0 1.8
261 2 8 -3 39.759 79.519 0.415 3.29 4 206.8 76.0
262 5 7 2 39.895 79.79 0.416 3.27 4 112.0 22.2
263 7 1 3 39.904 79.808 0.416 3.27 4 164.7 47.9
264 6 6 -3 39.914 79.827 0.416 3.27 4 223.8 88.5
265 6 6 2 39.919 79.837 0.417 3.26 4 231.7 94.9
266 5 1 -5 39.978 79.955 0.417 3.26 4 320.6 181.1
267 2 4 -5 39.982 79.964 0.417 3.26 4 67.4 8.0
268 8 2 2 40.108 80.215 0.418 3.24 4 2.3 0.0
269 3 9 1 40.204 80.407 0.419 3.23 4 156.2 42.6
270 2 6 4 40.206 80.412 0.419 3.23 4 341.3 203.6
271 0 4 5 40.221 80.443 0.419 3.23 4 102.6 18.4
272 1 9 2 40.275 80.551 0.42 3.22 4 67.4 7.9
273 9 3 -1 40.292 80.584 0.42 3.22 4 423.6 312.5
274 4 6 -4 40.296 80.592 0.42 3.22 4 129.2 29.0
275 7 5 -3 40.324 80.648 0.42 3.22 4 184.5 59.2
276 5 7 -3 40.564 81.127 0.422 3.19 4 22.0 0.8
277 9 1 1 40.69 81.38 0.423 3.17 4 197.0 66.6
278 9 3 0 40.696 81.392 0.423 3.17 4 279.8 134.4
279 5 3 4 40.799 81.598 0.424 3.16 4 37.5 2.4
280 4 8 2 40.931 81.862 0.425 3.15 4 269.8 123.9
281 3 1 5 40.934 81.868 0.425 3.15 4 235.1 94.0
282 7 3 -4 40.978 81.957 0.426 3.14 4 37.1 2.3
283 7 5 2 41.001 82.001 0.426 3.14 4 320.7 174.7
284 1 7 -4 41.049 82.097 0.426 3.13 4 295.0 147.5
285 0 10 0 41.308 82.616 0.428 3.11 2 217.9 39.9
286 2 8 3 41.372 82.745 0.429 3.1 4 184.2 56.9
287 3 9 -2 41.409 82.818 0.429 3.1 4 341.4 195.2
288 9 3 -2 41.497 82.993 0.43 3.09 4 11.9 0.2
289 8 4 -3 41.788 83.575 0.433 3.06 4 298.8 147.7
290 7 7 -1 41.822 83.645 0.433 3.05 4 56.5 5.3
291 7 3 3 41.922 83.844 0.434 3.05 4 210.8 73.2
292 4 4 -5 41.95 83.899 0.434 3.04 4 11.2 0.2
293 7 7 0 41.957 83.914 0.434 3.04 4 199.7 65.7
294 5 3 -5 41.995 83.99 0.434 3.04 4 39.1 2.5
295 1 5 -5 42.094 84.189 0.435 3.03 4 16.0 0.4
296 6 0 4 42.096 84.193 0.435 3.03 2 468.5 179.9
297 0 10 1 42.109 84.219 0.435 3.03 4 435.6 310.9
298 1 7 4 42.119 84.238 0.435 3.03 4 477.8 373.9
299 6 8 -1 42.153 84.306 0.436 3.02 4 357.0 208.5
300 6 8 0 42.154 84.308 0.436 3.02 4 281.3 129.5
301 3 7 -4 42.178 84.357 0.436 3.02 4 411.3 276.6
302 4 8 -3 42.264 84.527 0.437 3.01 4 398.0 258.4
303 9 1 -3 42.288 84.576 0.437 3.01 4 140.8 32.3
304 8 0 -4 42.304 84.609 0.437 3.01 2 573.1 267.6
305 2 10 0 42.407 84.814 0.438 3.0 4 108.7 19.2
306 8 6 -1 42.543 85.085 0.439 2.99 4 36.9 2.2
307 2 4 5 42.661 85.322 0.44 2.98 4 72.6 8.5
308 9 3 1 42.701 85.402 0.44 2.98 4 453.7 331.6
309 8 6 0 42.81 85.62 0.441 2.97 4 106.3 18.2
310 2 10 -1 42.939 85.878 0.442 2.96 4 311.9 155.8
311 3 3 5 42.943 85.886 0.442 2.96 4 83.7 11.2
312 3 5 -5 42.954 85.907 0.442 2.96 4 105.1 17.7
313 3 9 2 43.01 86.021 0.443 2.95 4 399.5 255.0
314 6 2 -5 43.09 86.18 0.443 2.95 4 168.6 45.3
315 6 2 4 43.099 86.197 0.444 2.95 4 30.3 1.5
316 8 4 2 43.126 86.252 0.444 2.94 4 299.0 142.4
317 7 7 -2 43.286 86.572 0.445 2.93 4 418.3 277.7
318 8 2 -4 43.306 86.612 0.445 2.93 4 93.2 13.8
319 5 9 0 43.399 86.798 0.446 2.92 4 333.6 176.1
320 1 5 5 43.427 86.853 0.446 2.92 4 30.8 1.5
321 2 10 1 43.471 86.942 0.447 2.92 4 383.6 232.5
322 5 9 -1 43.531 87.062 0.447 2.92 4 61.1 5.9
323 1 9 -3 43.612 87.223 0.448 2.91 4 200.0 63.0
324 10 0 0 43.652 87.304 0.448 2.91 2 17.9 0.3
325 7 7 1 43.688 87.376 0.448 2.9 4 10.6 0.2
326 6 8 -2 43.748 87.496 0.449 2.9 4 24.0 0.9
327 6 8 1 43.751 87.502 0.449 2.9 4 281.0 123.9
328 8 6 -2 43.87 87.741 0.45 2.89 4 311.0 151.4
329 10 2 -1 44.119 88.238 0.452 2.88 4 32.7 1.7
330 10 0 -2 44.18 88.359 0.452 2.87 2 487.3 184.6
331 4 2 5 44.272 88.543 0.453 2.87 4 168.3 44.0
332 9 1 2 44.289 88.578 0.453 2.87 4 382.2 226.6
333 9 3 -3 44.289 88.579 0.453 2.87 4 209.1 67.8
334 9 5 -1 44.307 88.615 0.453 2.87 4 6.5 0.1
335 1 9 3 44.409 88.818 0.454 2.86 4 152.2 35.9
336 2 0 -6 44.502 89.003 0.455 2.85 2 106.1 8.7
337 0 10 2 44.502 89.004 0.455 2.85 4 58.4 5.3
338 5 7 3 44.566 89.131 0.455 2.85 4 171.2 45.2
339 4 6 4 44.567 89.134 0.456 2.85 4 155.4 37.2
340 10 2 0 44.651 89.302 0.456 2.85 4 224.0 77.3
341 8 6 1 44.67 89.341 0.456 2.85 4 117.0 21.1
342 9 5 0 44.707 89.414 0.457 2.84 4 99.6 15.3
343 6 6 -4 44.715 89.429 0.457 2.84 4 304.4 142.5
344 6 6 3 44.721 89.443 0.457 2.84 4 177.5 48.5
345 1 1 -6 44.729 89.458 0.457 2.84 4 56.4 4.9
346 5 5 4 44.809 89.617 0.457 2.84 4 442.4 300.6
347 5 9 1 44.86 89.719 0.458 2.84 4 139.4 29.8
348 7 5 -4 44.986 89.972 0.459 2.83 4 321.2 157.9
349 3 9 -3 44.999 89.999 0.459 2.83 4 68.6 7.2
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 5.481 10.961 8.06488 6821.0 94.9 96.1 5.6
2 2 0 0 7.935 15.871 5.57951 4202.0 58.4 59.0 5.6
3 1 1 -1 8.271 16.542 5.35448 3080.9 42.8 43.3 5.6
4 1 1 1 9.158 18.316 4.83978 1033.4 14.4 14.5 5.6
5 0 2 1 10.194 20.387 4.35247 461.2 6.4 6.5 5.6
6 2 2 0 11.012 22.025 4.03244 303.9 4.2 4.3 5.6
7 1 3 0 12.106 24.212 3.67293 1123.2 15.6 15.7 5.6
8 2 2 -1 12.35 24.699 3.6015 4875.2 67.8 68.1 5.6
9 3 1 0 12.553 25.107 3.54397 2316.4 32.2 32.3 5.6
10 3 1 -1 13.46 26.919 3.30932 6248.5 86.9 87.1 5.6
11 2 2 1 13.565 27.131 3.28403 1127.8 15.7 15.7 5.6
12 0 0 2 13.634 27.268 3.26783 6697.1 93.1 93.4 5.6
13 1 3 1 14.202 28.403 3.13969 194.3 2.7 2.7 5.6
14 2 0 -2 14.811 29.623 3.01319 2843.7 39.5 39.6 5.6
15 3 1 1 15.125 30.251 2.95205 7190.9 100.0 100.0 5.6
16 1 1 2 15.265 30.53 2.92563 5267.3 73.3 73.2 5.6
17 0 4 0 15.31 30.62 2.91725 1552.6 21.6 21.6 5.6
18 0 2 2 15.674 31.349 2.85109 2421.1 33.7 33.6 5.6
19 4 0 0 16.028 32.056 2.78975 1058.1 14.7 14.7 5.6
20 3 3 0 16.65 33.301 2.68829 3117.3 43.4 43.2 5.6
21 2 2 -2 16.721 33.442 2.67724 2642.4 36.7 36.6 5.7
22 0 4 1 16.807 33.614 2.66392 5936.5 82.6 82.3 5.7
23 2 0 2 16.837 33.673 2.65941 5353.3 74.4 74.2 5.7
24 3 3 -1 17.361 34.722 2.58145 3914.9 54.4 54.2 5.7
25 4 2 0 17.821 35.643 2.51684 3370.5 46.9 46.7 5.7
26 1 3 -2 17.943 35.886 2.50033 869.7 12.1 12.0 5.7
27 4 2 -1 18.271 36.541 2.45699 4165.1 57.9 57.6 5.7
28 3 3 1 18.714 37.429 2.40075 157.4 2.2 2.2 5.7
29 1 3 2 18.83 37.661 2.38648 410.2 5.7 5.7 5.7
30 2 4 1 19.122 38.243 2.35147 1654.3 23.0 22.8 5.7
31 4 0 -2 19.666 39.332 2.28885 201.0 2.8 2.8 5.7
32 1 5 0 19.706 39.412 2.28438 1558.3 21.7 21.5 5.7
33 4 2 1 19.987 39.973 2.25358 595.8 8.3 8.2 5.7
34 1 5 -1 20.728 41.457 2.17631 468.4 6.5 6.4 5.7
35 5 1 -1 20.772 41.544 2.17193 76.1 1.1 1.0 5.7
36 1 1 -3 20.893 41.786 2.1599 368.9 5.1 5.1 5.7
37 1 5 1 21.127 42.253 2.13712 359.7 5.0 4.9 5.7
38 4 2 -2 21.193 42.385 2.13076 805.7 11.2 11.1 5.7
39 2 4 -2 21.563 43.125 2.0959 83.7 1.2 1.1 5.7
40 2 2 -3 22.593 45.186 2.00498 944.2 13.1 12.9 5.7
41 5 1 1 22.703 45.405 1.9958 773.8 10.8 10.6 5.7
42 4 4 -1 22.833 45.665 1.98506 443.4 6.2 6.1 5.7
43 3 1 -3 22.898 45.796 1.97967 285.8 4.0 3.9 5.7
44 3 5 0 22.932 45.864 1.9769 452.3 6.3 6.2 5.7
45 2 4 2 23.075 46.15 1.96533 1005.8 14.0 13.8 5.7
46 5 1 -2 23.253 46.506 1.9511 471.9 6.6 6.5 5.7
47 0 6 0 23.332 46.665 1.94483 446.9 6.2 6.1 5.7
48 5 3 0 23.448 46.896 1.93579 100.1 1.4 1.4 5.7
49 3 5 -1 23.481 46.962 1.93323 447.0 6.2 6.1 5.7
50 5 3 -1 23.628 47.256 1.92187 75.4 1.0 1.0 5.7
51 1 3 -3 23.737 47.475 1.91352 2167.1 30.1 29.6 5.7
52 1 5 -2 23.938 47.875 1.89845 72.7 1.0 1.0 5.7
53 4 4 1 24.283 48.565 1.87307 249.6 3.5 3.4 5.7
54 0 6 1 24.408 48.816 1.86405 382.3 5.3 5.2 5.7
55 6 0 0 24.467 48.934 1.85984 545.7 7.6 7.4 5.7
56 3 5 1 24.553 49.105 1.85374 982.7 13.7 13.4 5.7
57 2 6 0 24.799 49.598 1.83647 2960.8 41.2 40.4 5.7
58 4 4 -2 25.325 50.65 1.80075 1827.7 25.4 24.9 5.8
59 5 3 1 25.388 50.775 1.79662 103.6 1.4 1.4 5.8
60 3 3 -3 25.567 51.135 1.78483 808.1 11.2 11.0 5.8
61 6 2 -1 25.765 51.53 1.77207 1300.0 18.1 17.7 5.8
62 4 2 -3 25.905 51.81 1.76313 766.5 10.7 10.4 5.8
63 3 1 3 26.069 52.138 1.75283 1859.0 25.9 25.3 5.8
64 0 4 3 26.186 52.372 1.74553 926.2 12.9 12.6 5.8
65 6 0 -2 26.513 53.027 1.72551 120.6 1.7 1.6 5.8
66 2 4 -3 26.557 53.114 1.72289 135.9 1.9 1.8 5.8
67 5 1 2 26.724 53.447 1.71292 852.5 11.9 11.6 5.8
68 0 6 2 27.445 54.89 1.67125 1408.1 19.6 19.1 5.8
69 5 1 -3 27.536 55.072 1.66618 110.7 1.5 1.5 5.8
70 6 2 -2 27.744 55.488 1.65466 2132.3 29.7 28.9 5.8
71 4 4 2 27.976 55.953 1.64202 274.7 3.8 3.7 5.8
72 3 5 2 28.061 56.122 1.63745 2032.6 28.3 27.5 5.8
73 1 1 -4 28.117 56.234 1.63446 1511.2 21.0 20.4 5.8
74 2 0 -4 28.163 56.326 1.63202 135.8 1.9 1.8 5.8
75 5 5 0 28.526 57.051 1.61298 864.8 12.0 11.7 5.8
76 5 3 2 29.137 58.275 1.58199 297.3 4.1 4.0 5.8
77 7 1 0 29.188 58.377 1.57947 975.4 13.6 13.2 5.8
78 2 6 2 29.385 58.77 1.56984 284.6 4.0 3.8 5.8
79 6 4 0 29.418 58.836 1.56824 1041.8 14.5 14.0 5.8
80 1 5 3 29.713 59.425 1.55408 79.6 1.1 1.1 5.8
81 5 5 1 30.233 60.467 1.52978 378.4 5.3 5.1 5.8
82 3 7 0 30.421 60.843 1.52122 467.4 6.5 6.3 5.8
83 5 5 -2 30.686 61.372 1.50937 185.1 2.6 2.5 5.8
84 1 7 -2 31.255 62.51 1.48459 1027.2 14.3 13.8 5.8
85 7 3 -1 31.33 62.659 1.48142 682.6 9.5 9.1 5.8
86 6 2 2 31.457 62.914 1.47602 1075.6 15.0 14.4 5.9
87 1 3 4 31.66 63.321 1.46753 164.7 2.3 2.2 5.9
88 3 3 -4 31.726 63.453 1.46479 229.1 3.2 3.1 5.9
89 2 2 4 31.774 63.549 1.46281 547.5 7.6 7.3 5.9
90 4 2 -4 31.873 63.747 1.45875 976.9 13.6 13.1 5.9
91 0 6 3 32.068 64.136 1.45082 88.5 1.2 1.2 5.9
92 5 1 3 32.156 64.311 1.44729 488.9 6.8 6.5 5.9
93 2 6 -3 32.395 64.79 1.43775 79.4 1.1 1.1 5.9
94 0 4 4 32.707 65.414 1.42555 180.3 2.5 2.4 5.9
95 2 4 -4 32.739 65.479 1.42429 363.2 5.1 4.8 5.9
96 7 3 -2 32.948 65.896 1.41627 157.7 2.2 2.1 5.9
97 3 1 4 33.042 66.084 1.41269 699.2 9.7 9.3 5.9
98 2 8 0 33.082 66.163 1.4112 322.2 4.5 4.3 5.9
99 5 1 -4 33.171 66.343 1.40782 177.1 2.5 2.4 5.9
100 7 3 1 33.386 66.772 1.3998 350.4 4.9 4.7 5.9
101 8 0 0 33.519 67.039 1.39488 91.6 1.3 1.2 5.9
102 4 6 2 33.66 67.32 1.38973 221.2 3.1 2.9 5.9
103 7 1 -3 34.091 68.182 1.37425 163.5 2.3 2.2 5.9
104 2 6 3 34.133 68.266 1.37277 91.5 1.3 1.2 5.9
105 8 2 0 34.596 69.192 1.35665 216.8 3.0 2.9 5.9
106 1 5 -4 34.859 69.718 1.34769 81.7 1.1 1.1 5.9
107 6 6 -1 34.963 69.926 1.34418 320.2 4.5 4.2 5.9
108 4 6 -3 35.08 70.16 1.34027 163.0 2.3 2.2 5.9
109 3 3 4 35.193 70.386 1.33651 340.0 4.7 4.5 5.9
110 0 8 2 35.331 70.663 1.33196 408.7 5.7 5.4 5.9
111 4 0 4 35.4 70.801 1.32971 87.4 1.2 1.2 5.9
112 1 5 4 35.984 71.967 1.31099 129.3 1.8 1.7 5.9
113 7 3 -3 36.213 72.426 1.30382 172.9 2.4 2.3 5.9
114 6 2 -4 36.606 73.212 1.29175 77.8 1.1 1.0 6.0
115 6 6 1 36.643 73.285 1.29063 183.5 2.6 2.4 6.0
116 1 9 0 36.733 73.467 1.28789 295.6 4.1 3.9 6.0
117 4 8 -1 36.854 73.708 1.28428 333.2 4.6 4.4 6.0
118 2 2 -5 36.904 73.808 1.28278 86.2 1.2 1.1 6.0
119 4 8 1 37.955 75.91 1.25241 99.8 1.4 1.3 6.0
120 1 3 -5 38.036 76.073 1.25013 569.9 7.9 7.5 6.0
121 5 5 3 38.518 77.037 1.23687 283.7 3.9 3.7 6.0
122 4 8 -2 38.771 77.541 1.23008 395.4 5.5 5.2 6.0
123 8 4 -2 38.83 77.66 1.2285 99.9 1.4 1.3 6.0
124 3 3 -5 38.915 77.83 1.22623 243.2 3.4 3.2 6.0
125 8 0 2 39.091 78.182 1.2216 135.9 1.9 1.8 6.0
126 3 5 4 39.342 78.683 1.21506 83.6 1.2 1.1 6.0
127 1 3 5 39.397 78.794 1.21363 343.6 4.8 4.5 6.0
128 9 1 -2 39.474 78.948 1.21166 244.4 3.4 3.2 6.0
129 4 4 4 39.541 79.081 1.20994 128.3 1.8 1.7 6.0
130 6 4 -4 39.691 79.382 1.20611 288.2 4.0 3.7 6.0
131 2 8 -3 39.759 79.519 1.20438 77.8 1.1 1.0 6.0
132 6 6 2 39.919 79.837 1.20038 253.5 3.5 3.3 6.0
133 5 1 -5 39.978 79.955 1.1989 189.1 2.6 2.5 6.0
134 2 6 4 40.206 80.412 1.19324 264.6 3.7 3.4 6.0
135 4 6 -4 40.296 80.592 1.19103 408.7 5.7 5.3 6.1
136 9 3 0 40.696 81.392 1.18132 201.0 2.8 2.6 6.1
137 4 8 2 40.931 81.862 1.17574 217.9 3.0 2.8 6.1
138 7 5 2 41.001 82.001 1.17409 177.0 2.5 2.3 6.1
139 1 7 -4 41.049 82.097 1.17296 147.5 2.1 1.9 6.1
140 3 9 -2 41.409 82.818 1.16457 195.2 2.7 2.5 6.1
141 8 4 -3 41.788 83.575 1.15593 147.7 2.1 1.9 6.1
142 7 3 3 41.922 83.844 1.15291 73.4 1.0 0.9 6.1
143 1 7 4 42.119 84.238 1.14852 864.7 12.0 11.1 6.1
144 3 7 -4 42.178 84.357 1.14721 614.6 8.5 7.9 6.1
145 4 8 -3 42.264 84.527 1.14533 290.7 4.0 3.7 6.1
146 8 0 -4 42.304 84.609 1.14443 267.6 3.7 3.4 6.1
147 9 3 1 42.701 85.402 1.13582 331.6 4.6 4.2 6.1
148 2 10 -1 42.939 85.878 1.13074 184.7 2.6 2.4 6.1
149 3 9 2 43.01 86.021 1.12922 255.0 3.5 3.3 6.1
150 8 4 2 43.126 86.252 1.12679 142.4 2.0 1.8 6.1
151 7 7 -2 43.286 86.572 1.12345 291.4 4.1 3.7 6.1
152 5 9 0 43.399 86.798 1.1211 177.6 2.5 2.3 6.1
153 2 10 1 43.471 86.942 1.11961 232.5 3.2 3.0 6.1
154 6 8 1 43.751 87.502 1.11389 123.9 1.7 1.6 6.2
155 8 6 -2 43.87 87.741 1.11147 151.4 2.1 1.9 6.2
156 10 0 -2 44.18 88.359 1.10528 184.6 2.6 2.3 6.2
157 9 3 -3 44.289 88.579 1.10311 338.4 4.7 4.3 6.2
158 5 7 3 44.566 89.131 1.0977 82.5 1.1 1.0 6.2
159 10 2 0 44.651 89.302 1.09604 98.3 1.4 1.2 6.2
160 6 6 3 44.721 89.443 1.09468 211.1 2.9 2.7 6.2
161 5 5 4 44.809 89.617 1.09299 300.6 4.2 3.8 6.2
162 7 5 -4 44.986 89.972 1.0896 165.1 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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