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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PARAKHINITE
1, f-khinite
Cu(3)PbTeO(6)(OH)(2)
Hexagonal P 3(2) Z = 3
R =0.081 NR =744
31 .1 .1996
Ref.Str.:
Burus P.C., Cooper M.A., Hawtorne F.C. (1995)
* Canad. Mineral., 33, 33-40
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.765 alpha = 90.0
b = 5.765 beta = 90.0
c = 18.001 gamma = 120.0
Unit cell volume (cub. angs.) = 518.11
Molar volume ( cub.cm/mol.) = 104.03
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3331 0.1659 0.1883 0.95 Pb = 1.00
2 0.3296 0.1661 0.9833 0.03 Te = 1.00
3 0.833 0.659 0.7267 0.12 Cu = 1.00
4 0.326 0.66 0.0592 0.06 Cu = 1.00
5 0.823 0.66 0.9845 0.05 Cu = 1.00
6 0.575 0.413 0.918 0.1 O = 1.00
7 0.08 0.909 0.916 0.27 O = 1.00
8 0.497 0.98 0.988 0.36 O = 1.00
9 0.576 0.412 0.059 0.06 O = 1.00
10 0.118 0.364 0.985 0.86 O = 1.00
11 0.076 0.911 0.058 0.1 O = 1.00
12 0.561 0.916 0.134 0.15 OH = 1.00
13 0.081 0.413 0.132 0.19 OH = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3331 0.1659 0.1883
2 2 0.3296 0.1661 0.9833
3 3 0.833 0.659 0.7267
4 4 0.326 0.66 0.0592
5 5 0.823 0.66 0.9845
6 6 0.575 0.413 0.918
7 7 0.08 0.909 0.916
8 8 0.497 0.98 0.988
9 9 0.576 0.412 0.059
10 10 0.118 0.364 0.985
11 11 0.076 0.911 0.058
12 12 0.561 0.916 0.134
13 13 0.081 0.413 0.132
14 1 0.8341 0.1672 0.855
15 1 0.8328 0.6669 0.5216
16 2 0.8339 0.1635 0.65
17 2 0.8365 0.6704 0.3166
18 3 0.341 0.174 0.3934
19 3 0.826 0.167 0.06
20 4 0.34 0.666 0.7259
21 4 0.334 0.674 0.3925
22 5 0.34 0.163 0.6512
23 5 0.837 0.177 0.3178
24 6 0.587 0.162 0.5847
25 6 0.838 0.425 0.2513
26 7 0.091 0.171 0.5827
27 7 0.829 0.92 0.2493
28 8 0.02 0.517 0.6547
29 8 0.483 0.503 0.3213
30 9 0.588 0.164 0.7257
31 9 0.836 0.424 0.3923
32 10 0.636 0.754 0.6517
33 10 0.246 0.882 0.3183
34 11 0.089 0.165 0.7247
35 11 0.835 0.924 0.3913
36 12 0.084 0.645 0.8007
37 12 0.355 0.439 0.4673
38 13 0.587 0.668 0.7987
39 13 0.332 0.919 0.4653
X-ray density (g/cm cub.) = 6.3
MU (1/cm) = 919.207 Mass attenuation coefficient (cm**2/g) = 145.906
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pb 3.192 8
2.7211 9
2.7712 11
2.5788 12
2.6905 13
2.7647 6
2.7464 7
2.9291 8
2.7548 10
2 Te 2.748 6
1.8427 6
1.898 7
1.7677 8
1.9674 9
2.0451 10
1.9896 11
3 Cu 2.856 6
2.0967 8
2.4715 9
2.0089 10
2.5265 11
1.9976 12
1.9406 13
4 Cu 2.856 6
2.0492 8
2.4863 9
2.0218 10
2.5014 11
1.9563 12
1.931 13
5 Cu 2.856 4
1.8625 6
1.9103 7
1.9582 9
1.965 11
6 O 3.312 7
2.886 7
2.8802 7
2.6265 8
2.5382 9
2.7805 10
3.3069 12
2.5842 13
7 O 3.312 7
2.8802 6
2.886 6
2.5773 8
2.8101 10
2.5563 11
2.5811 12
3.2435 13
8 O 3.312 7
2.6265 6
2.5773 7
2.6285 9
3.1297 10
3.1031 10
2.5829 11
2.7047 12
9 O 3.312 9
2.5382 6
2.6285 8
2.8446 10
2.8797 11
2.8854 11
3.244 12
3.124 12
3.1915 13
3.1443 13
10 O 3.312 7
2.7805 6
2.8101 7
3.1031 8
3.1297 8
2.8446 9
2.8237 11
2.681 13
11 O 3.312 9
2.5563 7
2.5829 8
2.8854 9
2.8797 9
2.8237 10
3.0999 12
3.2822 12
3.1729 13
3.1781 13
12 OH 3.36 9
2.7047 8
3.124 9
3.244 9
3.2822 11
3.0999 11
2.934 13
2.8361 13
3.307 6
2.5813 7
13 OH 3.36 9
3.1443 9
3.1915 9
2.681 10
3.1781 11
3.1729 11
2.8361 12
2.934 12
2.5844 6
3.2436 7
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 0 3 7.376 14.751 0.083 118.41 2 106.5 1000.2
2 1 0 0 8.875 17.75 0.1 81.09 6 97.3 1715.2
3 1 0 -1 9.213 18.426 0.104 75.09 6 136.7 3136.3
4 1 0 1 9.213 18.426 0.104 75.09 6 130.9 2874.1
5 1 0 -2 10.162 20.324 0.115 61.34 6 75.3 776.6
6 1 0 2 10.162 20.324 0.115 61.34 6 74.4 759.0
7 1 0 -3 11.578 23.156 0.13 46.76 6 99.3 1030.6
8 1 0 3 11.578 23.156 0.13 46.76 6 102.8 1105.2
9 1 0 -4 13.323 26.645 0.15 34.81 6 217.1 3666.7
10 1 0 4 13.323 26.645 0.15 34.81 6 217.9 3694.0
11 0 0 6 14.877 29.754 0.167 27.53 2 225.9 1046.8
12 1 0 -5 15.294 30.589 0.171 25.94 6 228.8 3036.1
13 1 0 5 15.294 30.589 0.171 25.94 6 229.5 3054.9
14 1 1 0 15.499 30.999 0.173 25.21 6 85.0 406.8
15 1 1 -1 15.702 31.404 0.176 24.51 6 115.1 725.3
16 1 1 1 15.702 31.404 0.176 24.51 6 116.7 746.5
17 1 1 -2 16.296 32.592 0.182 22.63 6 90.3 412.8
18 1 1 2 16.296 32.592 0.182 22.63 6 93.6 443.4
19 1 1 -3 17.245 34.49 0.192 20.01 6 77.8 270.7
20 1 1 3 17.245 34.49 0.192 20.01 6 92.4 382.2
21 1 0 -6 17.43 34.859 0.194 19.55 6 96.2 404.2
22 1 0 6 17.43 34.859 0.194 19.55 6 95.4 397.5
23 2 0 0 17.973 35.946 0.2 18.28 6 470.4 9038.9
24 2 0 -1 18.151 36.302 0.202 17.89 6 71.1 202.0
25 2 0 1 18.151 36.302 0.202 17.89 6 59.7 142.5
26 1 1 -4 18.502 37.005 0.206 17.15 6 214.3 1759.7
27 1 1 4 18.502 37.005 0.206 17.15 6 214.6 1765.7
28 2 0 -2 18.676 37.352 0.208 16.8 6 31.0 36.0
29 2 0 2 18.676 37.352 0.208 16.8 6 44.4 73.9
30 2 0 -3 19.524 39.048 0.217 15.23 6 64.7 142.4
31 2 0 3 19.524 39.048 0.217 15.23 6 60.8 125.7
32 1 0 -7 19.69 39.381 0.219 14.95 6 41.8 58.3
33 1 0 7 19.69 39.381 0.219 14.95 6 41.4 57.2
34 1 1 -5 20.019 40.037 0.222 14.41 6 244.7 1928.0
35 1 1 5 20.019 40.037 0.222 14.41 6 238.5 1832.2
36 2 0 -4 20.662 41.325 0.229 13.42 6 11.8 4.1
37 2 0 4 20.662 41.325 0.229 13.42 6 30.5 28.0
38 1 1 -6 21.751 43.503 0.241 11.96 6 155.6 647.2
39 1 1 6 21.751 43.503 0.241 11.96 6 148.1 586.8
40 2 0 -5 22.054 44.109 0.244 11.6 6 31.5 25.7
41 2 0 5 22.054 44.109 0.244 11.6 6 22.5 13.1
42 1 0 -8 22.055 44.109 0.244 11.6 6 48.4 60.7
43 1 0 8 22.055 44.109 0.244 11.6 6 47.9 59.4
44 0 0 9 22.651 45.302 0.25 10.92 2 313.4 798.9
45 2 0 -6 23.666 47.333 0.261 9.89 6 218.3 1053.3
46 2 0 6 23.666 47.333 0.261 9.89 6 226.5 1134.3
47 1 1 -7 23.667 47.333 0.261 9.89 6 53.1 62.3
48 1 1 7 23.667 47.333 0.261 9.89 6 73.2 118.4
49 1 2 0 24.091 48.183 0.265 9.5 6 68.1 98.3
50 2 1 0 24.091 48.183 0.265 9.5 6 57.7 70.8
51 1 2 -1 24.232 48.464 0.266 9.37 6 123.3 318.6
52 1 2 1 24.232 48.464 0.266 9.37 6 126.3 333.9
53 2 1 -1 24.232 48.464 0.266 9.37 6 122.7 315.5
54 2 1 1 24.232 48.464 0.266 9.37 6 127.2 339.2
55 1 0 -9 24.511 49.023 0.269 9.13 6 99.6 202.4
56 1 0 9 24.511 49.023 0.269 9.13 6 96.4 189.8
57 1 2 -2 24.65 49.299 0.271 9.02 6 52.1 54.7
58 1 2 2 24.65 49.299 0.271 9.02 6 52.7 56.0
59 2 1 -2 24.65 49.299 0.271 9.02 6 54.0 58.7
60 2 1 2 24.65 49.299 0.271 9.02 6 58.6 69.3
61 1 2 -3 25.335 50.669 0.278 8.47 6 70.5 94.0
62 1 2 3 25.335 50.669 0.278 8.47 6 78.5 116.5
63 2 1 -3 25.335 50.669 0.278 8.47 6 72.8 100.4
64 2 1 3 25.335 50.669 0.278 8.47 6 77.9 115.0
65 2 0 -7 25.47 50.94 0.279 8.37 6 12.1 2.7
66 2 0 7 25.47 50.94 0.279 8.37 6 10.3 2.0
67 1 1 -8 25.739 51.479 0.282 8.17 6 53.6 52.5
68 1 1 8 25.739 51.479 0.282 8.17 6 39.2 28.1
69 1 2 -4 26.272 52.543 0.287 7.8 6 172.1 516.2
70 1 2 4 26.272 52.543 0.287 7.8 6 180.7 569.4
71 2 1 -4 26.272 52.543 0.287 7.8 6 182.6 581.0
72 2 1 4 26.272 52.543 0.287 7.8 6 178.5 555.2
73 1 0 -10 27.057 54.114 0.295 7.29 6 189.5 585.4
74 1 0 10 27.057 54.114 0.295 7.29 6 189.1 582.6
75 1 2 -5 27.443 54.886 0.299 7.06 6 221.5 774.0
76 1 2 5 27.443 54.886 0.299 7.06 6 215.6 733.5
77 2 1 -5 27.443 54.886 0.299 7.06 6 219.9 763.0
78 2 1 5 27.443 54.886 0.299 7.06 6 221.4 773.7
79 2 0 -8 27.443 54.887 0.299 7.06 6 24.8 9.7
80 2 0 8 27.443 54.887 0.299 7.06 6 16.3 4.2
81 3 0 0 27.571 55.142 0.3 6.99 6 81.4 103.6
82 3 0 -1 27.699 55.398 0.302 6.91 6 68.8 73.0
83 3 0 1 27.699 55.398 0.302 6.91 6 79.6 98.0
84 1 1 -9 27.953 55.906 0.304 6.77 6 114.1 197.0
85 1 1 9 27.953 55.906 0.304 6.77 6 119.1 214.6
86 3 0 -2 28.079 56.159 0.306 6.7 6 62.1 57.7
87 3 0 2 28.079 56.159 0.306 6.7 6 79.2 93.8
88 3 0 -3 28.706 57.413 0.312 6.38 6 78.2 87.1
89 3 0 3 28.706 57.413 0.312 6.38 6 81.0 93.4
90 1 2 -6 28.831 57.662 0.313 6.31 6 129.2 235.6
91 1 2 6 28.831 57.662 0.313 6.31 6 134.4 254.8
92 2 1 -6 28.831 57.662 0.313 6.31 6 127.4 229.0
93 2 1 6 28.831 57.662 0.313 6.31 6 122.0 209.9
94 3 0 -4 29.57 59.14 0.32 5.96 6 185.0 456.0
95 3 0 4 29.57 59.14 0.32 5.96 6 174.5 405.7
96 2 0 -9 29.57 59.14 0.32 5.96 6 318.0 1347.5
97 2 0 9 29.57 59.14 0.32 5.96 6 312.6 1302.8
98 1 0 -11 29.692 59.384 0.322 5.91 6 133.6 235.6
99 1 0 11 29.692 59.384 0.322 5.91 6 134.9 240.2
100 1 1 -10 30.298 60.596 0.327 5.65 6 173.3 378.9
101 1 1 10 30.298 60.596 0.327 5.65 6 176.8 394.6
102 1 2 -7 30.418 60.836 0.329 5.6 6 44.5 24.8
103 1 2 7 30.418 60.836 0.329 5.6 6 29.1 10.6
104 2 1 -7 30.418 60.836 0.329 5.6 6 44.1 24.3
105 2 1 7 30.418 60.836 0.329 5.6 6 33.0 13.6
106 3 0 -5 30.658 61.315 0.331 5.5 6 179.7 397.0
107 3 0 5 30.658 61.315 0.331 5.5 6 176.4 382.8
108 0 0 12 30.897 61.793 0.333 5.41 2 174.4 122.5
109 2 0 -10 31.841 63.682 0.342 5.06 6 14.4 2.3
110 2 0 10 31.841 63.682 0.342 5.06 6 19.6 4.4
111 3 0 -6 31.958 63.915 0.344 5.02 6 87.9 86.8
112 3 0 6 31.958 63.915 0.344 5.02 6 93.4 97.8
113 1 2 -8 32.191 64.381 0.346 4.94 6 5.4 0.3
114 1 2 8 32.191 64.381 0.346 4.94 6 35.2 13.7
115 2 1 -8 32.191 64.381 0.346 4.94 6 15.0 2.5
116 2 1 8 32.191 64.381 0.346 4.94 6 29.8 9.8
117 2 2 0 32.307 64.614 0.347 4.9 6 410.3 1844.6
118 2 2 -1 32.423 64.846 0.348 4.87 6 52.1 29.5
119 2 2 1 32.423 64.846 0.348 4.87 6 29.6 9.6
120 1 0 -12 32.423 64.846 0.348 4.87 6 52.4 29.8
121 1 0 12 32.423 64.846 0.348 4.87 6 48.7 25.8
122 2 2 -2 32.77 65.539 0.351 4.76 6 28.9 8.9
123 2 2 2 32.77 65.539 0.351 4.76 6 37.1 14.6
124 1 1 -11 32.77 65.54 0.351 4.76 6 124.2 164.0
125 1 1 11 32.77 65.54 0.351 4.76 6 125.2 166.5
126 2 2 -3 33.343 66.687 0.357 4.58 6 82.1 69.1
127 2 2 3 33.343 66.687 0.357 4.58 6 84.4 73.0
128 3 0 -7 33.458 66.915 0.358 4.55 6 46.2 21.7
129 3 0 7 33.458 66.915 0.358 4.55 6 27.7 7.8
130 1 3 0 33.799 67.597 0.361 4.45 6 72.4 52.2
131 3 1 0 33.799 67.597 0.361 4.45 6 52.2 27.1
132 1 3 -1 33.912 67.824 0.362 4.42 6 82.8 67.8
133 1 3 1 33.912 67.824 0.362 4.42 6 84.6 70.8
134 3 1 -1 33.912 67.824 0.362 4.42 6 82.4 67.1
135 3 1 1 33.912 67.824 0.362 4.42 6 80.2 63.6
136 2 2 -4 34.138 68.277 0.364 4.36 6 11.9 1.4
137 2 2 4 34.138 68.277 0.364 4.36 6 27.8 7.5
138 1 2 -9 34.138 68.277 0.364 4.36 6 107.0 111.7
139 1 2 9 34.138 68.277 0.364 4.36 6 96.2 90.2
140 2 1 -9 34.138 68.277 0.364 4.36 6 94.2 86.4
141 2 1 9 34.138 68.277 0.364 4.36 6 101.1 99.7
142 1 3 -2 34.251 68.502 0.365 4.33 6 46.9 21.3
143 1 3 2 34.251 68.502 0.365 4.33 6 47.4 21.7
144 3 1 -2 34.251 68.502 0.365 4.33 6 59.6 34.4
145 3 1 2 34.251 68.502 0.365 4.33 6 43.4 18.3
146 2 0 -11 34.251 68.503 0.365 4.33 6 13.2 1.7
147 2 0 11 34.251 68.503 0.365 4.33 6 12.9 1.6
148 1 3 -3 34.813 69.626 0.371 4.19 6 69.2 44.8
149 1 3 3 34.813 69.626 0.371 4.19 6 73.1 50.0
150 3 1 -3 34.813 69.626 0.371 4.19 6 69.5 45.3
151 3 1 3 34.813 69.626 0.371 4.19 6 73.0 49.9
152 2 2 -5 35.148 70.296 0.374 4.11 6 26.9 6.6
153 2 2 5 35.148 70.296 0.374 4.11 6 14.7 2.0
154 3 0 -8 35.148 70.296 0.374 4.11 6 28.7 7.6
155 3 0 8 35.148 70.296 0.374 4.11 6 36.4 12.2
156 1 0 -13 35.26 70.519 0.375 4.08 6 73.3 49.0
157 1 0 13 35.26 70.519 0.375 4.08 6 77.1 54.3
158 1 1 -12 35.371 70.741 0.376 4.06 6 38.8 13.7
159 1 1 12 35.371 70.741 0.376 4.06 6 34.2 10.6
160 1 3 -4 35.592 71.185 0.378 4.01 6 154.4 213.4
161 1 3 4 35.592 71.185 0.378 4.01 6 144.5 187.2
162 3 1 -4 35.592 71.185 0.378 4.01 6 153.7 211.7
163 3 1 4 35.592 71.185 0.378 4.01 6 158.6 225.3
164 1 2 -10 36.255 72.51 0.384 3.87 6 165.0 235.2
165 1 2 10 36.255 72.51 0.384 3.87 6 167.4 242.0
166 2 1 -10 36.255 72.51 0.384 3.87 6 167.7 243.0
167 2 1 10 36.255 72.51 0.384 3.87 6 164.8 234.8
168 2 2 -6 36.365 72.729 0.385 3.84 6 187.3 301.3
169 2 2 6 36.365 72.729 0.385 3.84 6 187.5 302.2
170 1 3 -5 36.584 73.168 0.387 3.8 6 159.2 215.2
171 1 3 5 36.584 73.168 0.387 3.8 6 163.6 227.3
172 3 1 -5 36.584 73.168 0.387 3.8 6 172.3 252.0
173 3 1 5 36.584 73.168 0.387 3.8 6 164.5 229.8
174 2 0 -12 36.803 73.607 0.389 3.76 6 101.8 87.1
175 2 0 12 36.803 73.607 0.389 3.76 6 100.3 84.4
176 3 0 -9 37.022 74.043 0.391 3.72 6 89.3 66.2
177 3 0 9 37.022 74.043 0.391 3.72 6 85.2 60.2
178 1 3 -6 37.783 75.565 0.398 3.58 6 84.0 56.5
179 1 3 6 37.783 75.565 0.398 3.58 6 86.9 60.4
180 3 1 -6 37.783 75.565 0.398 3.58 6 73.2 42.9
181 3 1 6 37.783 75.565 0.398 3.58 6 68.0 37.0
182 2 2 -7 37.783 75.565 0.398 3.58 6 6.7 0.4
183 2 2 7 37.783 75.565 0.398 3.58 6 13.9 1.5
184 4 0 0 38.107 76.214 0.401 3.53 6 431.0 1463.9
185 1 1 -13 38.107 76.215 0.401 3.53 6 90.1 64.0
186 1 1 13 38.107 76.215 0.401 3.53 6 86.6 59.1
187 4 0 -1 38.215 76.43 0.402 3.51 6 20.4 3.3
188 4 0 1 38.215 76.43 0.402 3.51 6 29.3 6.7
189 1 0 -14 38.216 76.431 0.402 3.51 6 123.2 119.0
190 1 0 14 38.216 76.431 0.402 3.51 6 121.0 114.9
191 4 0 -2 38.538 77.077 0.404 3.46 6 20.0 3.1
192 4 0 2 38.538 77.077 0.404 3.46 6 15.2 1.8
193 1 2 -11 38.539 77.077 0.404 3.46 6 105.7 86.4
194 1 2 11 38.539 77.077 0.404 3.46 6 100.3 77.7
195 2 1 -11 38.539 77.077 0.404 3.46 6 102.7 81.6
196 2 1 11 38.539 77.077 0.404 3.46 6 105.8 86.5
197 4 0 -3 39.075 78.151 0.409 3.38 6 60.9 28.0
198 4 0 3 39.075 78.151 0.409 3.38 6 57.8 25.2
199 3 0 -10 39.076 78.151 0.409 3.38 6 150.6 171.4
200 3 0 10 39.076 78.151 0.409 3.38 6 154.9 181.1
201 1 3 -7 39.183 78.365 0.41 3.36 6 18.4 2.5
202 1 3 7 39.183 78.365 0.41 3.36 6 30.4 7.0
203 3 1 -7 39.183 78.365 0.41 3.36 6 17.9 2.4
204 3 1 7 39.183 78.365 0.41 3.36 6 30.1 6.8
205 2 2 -8 39.397 78.794 0.412 3.33 6 20.4 3.1
206 2 2 8 39.397 78.794 0.412 3.33 6 13.5 1.3
207 2 0 -13 39.504 79.008 0.413 3.32 6 39.8 11.7
208 2 0 13 39.504 79.008 0.413 3.32 6 29.7 6.6
209 4 0 -4 39.824 79.648 0.416 3.28 6 9.8 0.7
210 4 0 4 39.824 79.648 0.416 3.28 6 15.5 1.8
211 0 0 15 39.931 79.862 0.417 3.26 2 405.7 400.3
212 4 0 -5 40.781 81.562 0.424 3.16 6 5.1 0.2
213 4 0 5 40.781 81.562 0.424 3.16 6 3.0 0.1
214 1 3 -8 40.781 81.562 0.424 3.16 6 32.2 7.3
215 1 3 8 40.781 81.562 0.424 3.16 6 26.9 5.1
216 3 1 -8 40.781 81.562 0.424 3.16 6 24.4 4.2
217 3 1 8 40.781 81.562 0.424 3.16 6 28.6 5.8
218 1 2 -12 40.993 81.986 0.426 3.14 6 34.2 8.2
219 1 2 12 40.993 81.986 0.426 3.14 6 31.7 7.0
220 2 1 -12 40.993 81.986 0.426 3.14 6 36.7 9.4
221 2 1 12 40.993 81.986 0.426 3.14 6 36.1 9.2
222 1 1 -14 40.993 81.987 0.426 3.14 6 106.1 78.9
223 1 1 14 40.993 81.987 0.426 3.14 6 106.2 79.1
224 2 2 -9 41.205 82.41 0.428 3.12 6 270.9 511.2
225 2 2 9 41.205 82.41 0.428 3.12 6 268.3 501.5
226 3 0 -11 41.311 82.622 0.429 3.11 6 115.9 93.2
227 3 0 11 41.311 82.622 0.429 3.11 6 123.3 105.5
228 1 0 -15 41.311 82.622 0.429 3.11 6 61.8 26.5
229 1 0 15 41.311 82.622 0.429 3.11 6 69.5 33.5
230 4 0 -6 41.944 83.889 0.434 3.04 6 142.4 138.0
231 4 0 6 41.944 83.889 0.434 3.04 6 135.3 124.6
232 2 3 0 42.261 84.521 0.437 3.01 6 48.8 16.1
233 3 2 0 42.261 84.521 0.437 3.01 6 37.9 9.7
234 2 3 -1 42.366 84.732 0.437 3.01 6 84.4 47.9
235 2 3 1 42.366 84.732 0.437 3.01 6 81.6 44.7
236 3 2 -1 42.366 84.732 0.437 3.01 6 83.8 47.2
237 3 2 1 42.366 84.732 0.437 3.01 6 80.5 43.5
238 2 0 -14 42.367 84.733 0.437 3.01 6 30.0 6.0
239 2 0 14 42.367 84.733 0.437 3.01 6 41.2 11.4
240 1 3 -9 42.577 85.154 0.439 2.99 6 79.2 41.9
241 1 3 9 42.577 85.154 0.439 2.99 6 80.8 43.6
242 3 1 -9 42.577 85.154 0.439 2.99 6 69.6 32.3
243 3 1 9 42.577 85.154 0.439 2.99 6 73.5 36.1
244 2 3 -2 42.682 85.364 0.44 2.98 6 38.3 9.8
245 2 3 2 42.682 85.364 0.44 2.98 6 35.1 8.2
246 3 2 -2 42.682 85.364 0.44 2.98 6 42.2 11.9
247 3 2 2 42.682 85.364 0.44 2.98 6 39.1 10.2
248 2 3 -3 43.208 86.416 0.444 2.94 6 65.5 28.1
249 2 3 3 43.208 86.416 0.444 2.94 6 51.1 17.1
250 3 2 -3 43.208 86.416 0.444 2.94 6 55.5 20.2
251 3 2 3 43.208 86.416 0.444 2.94 6 62.5 25.7
252 2 2 -10 43.208 86.416 0.444 2.94 6 3.8 0.1
253 2 2 10 43.208 86.416 0.444 2.94 6 29.7 5.8
254 4 0 -7 43.313 86.626 0.445 2.93 6 5.4 0.2
255 4 0 7 43.313 86.626 0.445 2.93 6 2.7 0.0
256 1 2 -13 43.629 87.257 0.448 2.91 6 66.7 29.0
257 1 2 13 43.629 87.257 0.448 2.91 6 64.6 27.1
258 2 1 -13 43.629 87.257 0.448 2.91 6 66.0 28.3
259 2 1 13 43.629 87.257 0.448 2.91 6 66.2 28.5
260 3 0 -12 43.734 87.467 0.449 2.9 6 43.5 12.3
261 3 0 12 43.734 87.467 0.449 2.9 6 35.6 8.2
262 2 3 -4 43.943 87.886 0.45 2.89 6 126.2 102.9
263 2 3 4 43.943 87.886 0.45 2.89 6 128.6 106.7
264 3 2 -4 43.943 87.886 0.45 2.89 6 132.7 113.6
265 3 2 4 43.943 87.886 0.45 2.89 6 134.9 117.4
266 1 1 -15 44.049 88.097 0.451 2.88 6 53.7 18.6
267 1 1 15 44.049 88.097 0.451 2.88 6 54.2 18.9
268 1 3 -10 44.573 89.146 0.456 2.85 6 143.2 130.6
269 1 3 10 44.573 89.146 0.456 2.85 6 139.2 123.4
270 3 1 -10 44.573 89.146 0.456 2.85 6 140.6 125.9
271 3 1 10 44.573 89.146 0.456 2.85 6 146.9 137.6
272 1 0 -16 44.573 89.147 0.456 2.85 6 29.7 5.6
273 1 0 16 44.573 89.147 0.456 2.85 6 27.7 4.9
274 2 3 -5 44.888 89.775 0.458 2.83 6 162.4 167.1
275 2 3 5 44.888 89.775 0.458 2.83 6 156.9 155.9
276 3 2 -5 44.888 89.775 0.458 2.83 6 156.7 155.6
277 3 2 5 44.888 89.775 0.458 2.83 6 164.6 171.6
278 4 0 -8 44.888 89.776 0.458 2.83 6 5.9 0.2
279 4 0 8 44.888 89.776 0.458 2.83 6 6.1 0.2
280 1 4 0 44.993 89.985 0.459 2.83 6 61.2 23.6
281 4 1 0 44.993 89.985 0.459 2.83 6 53.0 17.8
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 0 0 3 7.376 14.751 6.00033 1000.2 11.1 11.2 5.6
2 1 0 0 8.875 17.75 4.99264 1715.2 19.0 19.2 5.6
3 1 0 1 9.213 18.426 4.81102 6010.4 66.5 67.4 5.6
4 1 0 2 10.162 20.324 4.36592 1535.6 17.0 17.2 5.6
5 1 0 3 11.578 23.156 3.83785 2135.7 23.6 23.9 5.6
6 1 0 4 13.323 26.645 3.34272 7360.7 81.4 82.1 5.6
7 0 0 6 14.877 29.754 3.00017 1046.8 11.6 11.6 5.6
8 1 0 5 15.294 30.589 2.92016 6091.0 67.4 67.7 5.6
9 1 1 0 15.499 30.999 2.8825 406.8 4.5 4.5 5.6
10 1 1 1 15.702 31.404 2.84624 1471.9 16.3 16.3 5.6
11 1 1 2 16.296 32.592 2.74516 856.1 9.5 9.5 5.6
12 1 1 3 17.245 34.49 2.59824 652.9 7.2 7.2 5.7
13 1 0 6 17.43 34.859 2.57158 801.7 8.9 8.9 5.7
14 2 0 0 17.973 35.946 2.49632 9038.9 100.0 100.0 5.7
15 2 0 1 18.151 36.302 2.47266 344.5 3.8 3.8 5.7
16 1 1 4 18.502 37.005 2.42727 3525.4 39.0 39.0 5.7
17 2 0 2 18.676 37.352 2.40551 109.9 1.2 1.2 5.7
18 2 0 3 19.524 39.048 2.30481 268.1 3.0 3.0 5.7
19 1 0 7 19.69 39.381 2.28613 115.4 1.3 1.3 5.7
20 1 1 5 20.019 40.037 2.25014 3760.2 41.6 41.4 5.7
21 1 1 6 21.751 43.503 2.07859 1234.1 13.7 13.6 5.7
22 1 0 8 22.055 44.109 2.05141 158.9 1.8 1.7 5.7
23 0 0 9 22.651 45.302 2.00011 798.9 8.8 8.8 5.7
24 2 0 6 23.666 47.333 1.91893 2368.4 26.2 25.9 5.7
25 1 2 0 24.091 48.183 1.88704 169.1 1.9 1.8 5.7
26 2 1 1 24.232 48.464 1.87676 1307.2 14.5 14.3 5.7
27 1 0 9 24.511 49.023 1.85666 392.2 4.3 4.3 5.7
28 2 1 2 24.65 49.299 1.84688 238.7 2.6 2.6 5.7
29 2 1 3 25.335 50.669 1.80012 426.0 4.7 4.6 5.8
30 2 1 4 26.272 52.543 1.74024 2221.7 24.6 24.1 5.8
31 1 0 10 27.057 54.114 1.69339 1168.0 12.9 12.7 5.8
32 1 2 5 27.443 54.886 1.67137 3058.0 33.8 33.1 5.8
33 3 0 0 27.571 55.142 1.66421 103.6 1.1 1.1 5.8
34 3 0 1 27.699 55.398 1.65715 171.0 1.9 1.9 5.8
35 1 1 9 27.953 55.906 1.64326 411.6 4.6 4.5 5.8
36 3 0 2 28.079 56.159 1.63647 151.6 1.7 1.6 5.8
37 3 0 3 28.706 57.413 1.60367 180.5 2.0 1.9 5.8
38 1 2 6 28.831 57.662 1.59734 929.3 10.3 10.0 5.8
39 2 0 9 29.57 59.14 1.56089 3511.9 38.9 37.8 5.8
40 1 0 11 29.692 59.384 1.55505 475.8 5.3 5.1 5.8
41 1 1 10 30.298 60.596 1.52683 773.5 8.6 8.3 5.8
42 3 0 5 30.658 61.315 1.51062 779.8 8.6 8.4 5.8
43 0 0 12 30.897 61.793 1.50008 122.5 1.4 1.3 5.8
44 3 0 6 31.958 63.915 1.45531 184.6 2.0 2.0 5.9
45 2 2 0 32.307 64.614 1.44125 1844.6 20.4 19.7 5.9
46 1 0 12 32.423 64.846 1.43664 94.6 1.0 1.0 5.9
47 1 1 11 32.77 65.54 1.42311 354.0 3.9 3.8 5.9
48 2 2 3 33.343 66.687 1.40139 142.1 1.6 1.5 5.9
49 1 3 1 33.912 67.824 1.38063 269.3 3.0 2.9 5.9
50 2 1 9 34.138 68.277 1.37257 396.9 4.4 4.2 5.9
51 3 1 2 34.251 68.502 1.36861 99.0 1.1 1.1 5.9
52 3 1 3 34.813 69.626 1.34925 190.1 2.1 2.0 5.9
53 1 0 13 35.26 70.519 1.33432 103.3 1.1 1.1 5.9
54 3 1 4 35.592 71.185 1.32347 837.5 9.3 8.8 5.9
55 2 1 10 36.255 72.51 1.30251 955.0 10.6 10.1 5.9
56 2 2 6 36.365 72.729 1.29912 603.4 6.7 6.4 6.0
57 3 1 5 36.584 73.168 1.29241 924.2 10.2 9.7 6.0
58 2 0 12 36.803 73.607 1.28579 171.5 1.9 1.8 6.0
59 3 0 9 37.022 74.043 1.27928 126.4 1.4 1.3 6.0
60 1 3 6 37.783 75.565 1.25726 198.7 2.2 2.1 6.0
61 4 0 0 38.107 76.214 1.24816 1587.0 17.6 16.6 6.0
62 1 0 14 38.216 76.431 1.24516 243.9 2.7 2.5 6.0
63 2 1 11 38.539 77.077 1.23632 337.1 3.7 3.5 6.0
64 3 0 10 39.076 78.151 1.22199 405.8 4.5 4.2 6.0
65 0 0 15 39.931 79.862 1.20007 400.3 4.4 4.2 6.0
66 1 1 14 40.993 81.987 1.17426 191.9 2.1 2.0 6.1
67 2 2 9 41.205 82.41 1.1693 1012.7 11.2 10.4 6.1
68 3 0 11 41.311 82.622 1.16684 258.8 2.9 2.7 6.1
69 4 0 6 41.944 83.889 1.15241 262.6 2.9 2.7 6.1
70 2 3 1 42.366 84.732 1.14308 200.8 2.2 2.1 6.1
71 1 3 9 42.577 85.154 1.13849 153.9 1.7 1.6 6.1
72 2 3 3 43.208 86.416 1.12507 97.0 1.1 1.0 6.1
73 1 2 13 43.629 87.257 1.11638 112.9 1.2 1.1 6.2
74 3 2 4 43.943 87.886 1.11 440.6 4.9 4.5 6.2
75 3 1 10 44.573 89.146 1.09755 528.0 5.8 5.3 6.2
76 3 2 5 44.888 89.775 1.09148 650.6 7.2 6.6 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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