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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PYRRHOTITE
3, 4C, f-pyrrhotite, s-clino(mono)pyrrhotites
Fe(7)S(8)
Monoclinic F 2/d Z = 8
R =0.045 NR =487
12 .1 .1996
Ref.Str.:
Tokonami M., Nishiguchi K., Morimoto N. (1972)
* Amer. Mineral., 57, 1066-1080
Reserv:
D.T.N.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 11.902 alpha = 90.0
b = 6.859 beta = 90.46
c = 22.787 gamma = 90.0
Unit cell volume (cub. angs.) = 1860.18
Molar volume ( cub.cm/mol.) = 140.06
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3809 0.35 0.9937 0.94 Fe = 1.00
2 0.3816 0.366 0.1234 0.89 Fe = 1.00
3 0.3587 0.3975 0.2501 0.75 Fe = 1.00
4 0.375 0.3528 0.375 1.41 Fe = 1.00
5 0.2061 0.366 0.9382 0.78 S = 1.00
6 0.5418 0.3833 0.0598 0.61 S = 1.00
7 0.2096 0.3858 0.1805 0.5 S = 1.00
8 0.5428 0.3645 0.3087 0.65 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3809 0.35 0.9937
2 2 0.3816 0.366 0.1234
3 3 0.3587 0.3975 0.2501
4 4 0.375 0.3528 0.375
5 5 0.2061 0.366 0.9382
6 6 0.5418 0.3833 0.0598
7 7 0.2096 0.3858 0.1805
8 8 0.5428 0.3645 0.3087
9 1 0.6191 0.65 0.0063
10 2 0.6184 0.634 0.8766
11 3 0.6413 0.6025 0.7499
12 4 0.625 0.6472 0.625
13 5 0.7939 0.634 0.0618
14 6 0.4582 0.6167 0.9402
15 7 0.7904 0.6142 0.8195
16 8 0.4572 0.6355 0.6913
17 1 0.3809 0.85 0.4937
18 2 0.3816 0.866 0.6234
19 3 0.3587 0.8975 0.7501
20 4 0.375 0.8528 0.875
21 5 0.2061 0.866 0.4382
22 6 0.5418 0.8833 0.5598
23 7 0.2096 0.8858 0.6805
24 8 0.5428 0.8645 0.8087
25 1 0.6191 0.15 0.5063
26 2 0.6184 0.134 0.3766
27 3 0.6413 0.1025 0.2499
28 4 0.625 0.1472 0.125
29 5 0.7939 0.134 0.5618
30 6 0.4582 0.1167 0.4402
31 7 0.7904 0.1142 0.3195
32 8 0.4572 0.1355 0.1913
33 1 0.8809 0.35 0.4937
34 2 0.8816 0.366 0.6234
35 3 0.8587 0.3975 0.7501
36 4 0.875 0.3528 0.875
37 5 0.7061 0.366 0.4382
38 6 0.0418 0.3833 0.5598
39 7 0.7096 0.3858 0.6805
40 8 0.0428 0.3645 0.8087
41 1 0.1191 0.65 0.5063
42 2 0.1184 0.634 0.3766
43 3 0.1413 0.6025 0.2499
44 4 0.125 0.6472 0.125
45 5 0.2939 0.634 0.5618
46 6 0.9582 0.6167 0.4402
47 7 0.2904 0.6142 0.3195
48 8 0.9572 0.6355 0.1913
49 1 0.8809 0.85 0.9937
50 2 0.8816 0.866 0.1234
51 3 0.8587 0.8975 0.2501
52 4 0.875 0.8528 0.375
53 5 0.7061 0.866 0.9382
54 6 0.0418 0.8833 0.0598
55 7 0.7096 0.8858 0.1805
56 8 0.0428 0.8645 0.3087
57 1 0.1191 0.15 0.0063
58 2 0.1184 0.134 0.8766
59 3 0.1413 0.1025 0.7499
60 4 0.125 0.1472 0.625
61 5 0.2939 0.134 0.0618
62 6 0.9582 0.1167 0.9402
63 7 0.2904 0.1142 0.8195
64 8 0.9572 0.1355 0.6913
65 1 0.6309 0.65 0.2437
66 2 0.6316 0.634 0.3734
67 3 0.6087 0.6025 0.5001
68 5 0.4561 0.634 0.1882
69 6 0.7918 0.6167 0.3098
70 7 0.4596 0.6142 0.4305
71 8 0.7928 0.6355 0.5587
72 1 0.8691 0.35 0.2563
73 2 0.8684 0.366 0.1266
74 3 0.8913 0.3975 0.0
75 5 0.0439 0.366 0.3118
76 6 0.7082 0.3833 0.1902
77 7 0.0404 0.3858 0.0695
78 8 0.7072 0.3645 0.9413
79 1 0.6309 0.15 0.7437
80 2 0.6316 0.134 0.8734
81 3 0.6087 0.1025 0.0001
82 5 0.4561 0.134 0.6882
83 6 0.7918 0.1167 0.8098
84 7 0.4596 0.1142 0.9305
85 8 0.7928 0.1355 0.0587
86 1 0.8691 0.85 0.7563
87 2 0.8684 0.866 0.6266
88 3 0.8913 0.8975 0.4999
89 5 0.0439 0.866 0.8118
90 6 0.7082 0.8833 0.6902
91 7 0.0404 0.8858 0.5695
92 8 0.7072 0.8645 0.4413
93 1 0.1309 0.65 0.7437
94 2 0.1316 0.634 0.8734
95 3 0.1087 0.6025 0.0001
96 5 0.9561 0.634 0.6882
97 6 0.2918 0.6167 0.8098
98 7 0.9596 0.6142 0.9305
99 8 0.2928 0.6355 0.0587
100 1 0.3691 0.35 0.7563
101 2 0.3684 0.366 0.6266
102 3 0.3913 0.3975 0.4999
103 5 0.5439 0.366 0.8118
104 6 0.2082 0.3833 0.6902
105 7 0.5404 0.3858 0.5695
106 8 0.2072 0.3645 0.4413
107 1 0.1309 0.15 0.2437
108 2 0.1316 0.134 0.3734
109 3 0.1087 0.1025 0.5001
110 5 0.9561 0.134 0.1882
111 6 0.2918 0.1167 0.3098
112 7 0.9596 0.1142 0.4305
113 8 0.2928 0.1355 0.5587
114 1 0.3691 0.85 0.2563
115 2 0.3684 0.866 0.1266
116 3 0.3913 0.8975 0.0
117 5 0.5439 0.866 0.3118
118 6 0.2082 0.8833 0.1902
119 7 0.5404 0.8858 0.0695
120 8 0.2072 0.8645 0.9413
X-ray density (g/cm cub.) = 4.62
MU (1/cm) = 396.38 Mass attenuation coefficient (cm**2/g) = 85.761
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe 3.144 6
2.4285 5
2.4376 6
2.3868 6
2.3877 5
2.3641 7
2.6745 8
2 Fe 3.144 6
2.4071 6
2.4382 7
2.3834 8
2.3598 5
2.5149 5
2.5851 8
3 Fe 3.144 6
2.3719 7
2.5668 8
2.5346 8
2.322 7
2.4477 5
2.4923 6
4 Fe 3.144 6
2.5151 8
2.4056 6
2.4099 7
2.4099 7
2.5151 8
2.4056 6
5 S 4.368 12
3.4583 6
3.5204 8
3.3926 5
3.4108 6
3.3689 7
3.5992 7
3.4822 7
3.5505 6
3.3953 7
3.4606 8
3.42 8
3.4405 8
6 S 4.368 12
3.4583 5
3.3071 6
3.5958 8
3.4108 5
3.5505 5
3.5577 6
3.3569 8
3.6054 7
3.4373 8
3.4314 8
3.4538 7
3.4196 7
7 S 4.368 12
3.4177 8
3.6555 7
3.4685 8
3.3689 5
3.3953 5
3.5992 5
3.2205 7
3.4148 8
3.4822 5
3.6054 6
3.4196 6
3.4538 6
8 S 4.368 12
3.5958 6
3.4177 7
3.2585 8
3.5204 5
3.4685 7
3.4606 5
3.4314 6
3.4148 7
3.3569 6
3.4373 6
3.4405 5
3.42 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 0 -1 4.848 9.696 0.047 277.06 2 0.0 0.0
2 1 0 3 8.06 16.12 0.078 98.79 2 0.0 0.0
3 1 1 -1 8.94 17.879 0.087 79.89 4 167.8 260.2
4 1 1 1 8.957 17.915 0.087 79.57 4 86.6 69.0
5 0 0 4 9.034 18.068 0.088 78.19 2 189.5 162.3
6 2 0 -2 9.731 19.461 0.094 67.09 2 62.9 15.4
7 2 0 2 9.796 19.591 0.095 66.18 2 252.5 243.8
8 1 1 -3 10.996 21.991 0.107 52.08 4 181.5 198.3
9 1 1 3 11.039 22.078 0.107 51.65 4 44.6 11.9
10 1 0 -5 12.099 24.198 0.117 42.65 2 0.0 0.0
11 3 0 1 13.248 26.496 0.128 35.23 2 0.0 0.0
12 1 1 -5 14.292 28.584 0.138 29.99 4 88.0 26.9
13 1 1 5 14.348 28.697 0.139 29.74 4 191.8 126.5
14 3 0 -3 14.686 29.373 0.142 28.3 2 0.0 0.0
15 0 2 0 15.118 30.237 0.146 26.59 2 96.7 14.4
16 3 1 -1 15.256 30.512 0.147 26.08 4 71.5 15.4
17 3 1 1 15.288 30.576 0.147 25.96 4 130.1 50.8
18 0 2 2 15.806 31.611 0.152 24.17 4 166.6 77.6
19 2 0 -6 16.164 32.327 0.156 23.03 2 270.2 97.2
20 2 0 6 16.285 32.57 0.157 22.66 2 168.0 37.0
21 3 1 -3 16.565 33.13 0.159 21.84 4 108.6 29.8
22 1 0 7 16.586 33.172 0.16 21.78 2 0.0 0.0
23 3 1 3 16.654 33.308 0.16 21.58 4 119.6 35.7
24 3 0 5 17.464 34.929 0.168 19.46 2 0.0 0.0
25 4 0 0 17.495 34.989 0.168 19.39 2 750.2 630.7
26 2 2 0 17.519 35.038 0.168 19.33 4 728.1 1184.6
27 0 2 4 17.724 35.448 0.17 18.85 4 67.8 10.0
28 2 2 -2 18.107 36.214 0.174 17.98 4 82.6 14.2
29 2 2 2 18.144 36.287 0.174 17.9 4 49.0 5.0
30 1 1 -7 18.226 36.453 0.175 17.72 4 124.2 31.6
31 1 1 7 18.29 36.581 0.175 17.59 4 184.2 69.0
32 0 0 8 18.303 36.605 0.176 17.56 2 395.9 159.1
33 3 1 -5 18.968 37.936 0.182 16.23 4 141.9 37.8
34 3 1 5 19.1 38.2 0.183 15.99 4 133.3 32.9
35 4 0 -4 19.757 39.514 0.189 14.83 2 490.8 206.6
36 2 2 -4 19.813 39.627 0.189 14.74 4 735.5 921.8
37 2 2 4 19.881 39.763 0.19 14.63 4 472.2 377.0
38 4 0 4 19.893 39.787 0.19 14.61 2 756.8 483.6
39 0 2 6 20.574 41.148 0.196 13.55 4 275.3 118.8
40 3 0 -7 20.735 41.469 0.198 13.32 2 0.0 0.0
41 1 0 -9 21.137 42.275 0.202 12.76 2 0.0 0.0
42 3 1 -7 22.166 44.332 0.211 11.47 4 224.3 66.7
43 5 0 -1 22.179 44.358 0.211 11.45 2 0.0 0.0
44 3 1 7 22.329 44.657 0.212 11.28 4 172.2 38.7
45 2 2 -6 22.425 44.85 0.213 11.17 4 24.8 0.8
46 2 2 6 22.517 45.034 0.214 11.07 4 51.9 3.4
47 1 1 -9 22.548 45.096 0.214 11.03 4 121.1 18.7
48 1 1 9 22.617 45.234 0.215 10.96 4 33.0 1.4
49 5 0 3 23.247 46.494 0.221 10.3 2 0.0 0.0
50 4 2 0 23.452 46.905 0.222 10.09 4 88.1 9.1
51 5 1 -1 23.54 47.08 0.223 10.01 4 113.5 14.9
52 5 1 1 23.577 47.155 0.224 9.97 4 56.2 3.6
53 1 3 -1 23.593 47.187 0.224 9.96 4 17.2 0.3
54 1 3 1 23.601 47.202 0.224 9.95 4 157.8 28.7
55 4 2 -2 23.903 47.806 0.227 9.67 4 60.9 4.1
56 4 2 2 23.962 47.923 0.227 9.61 4 279.5 86.8
57 0 2 8 24.093 48.186 0.228 9.5 4 73.6 5.9
58 5 1 -3 24.454 48.909 0.231 9.18 4 249.6 66.1
59 1 3 -3 24.535 49.069 0.232 9.11 4 76.9 6.2
60 1 3 3 24.556 49.112 0.232 9.09 4 244.5 62.8
61 5 1 3 24.562 49.124 0.232 9.09 4 65.3 4.5
62 2 0 -10 24.785 49.569 0.234 8.9 2 81.8 3.4
63 3 0 9 24.874 49.748 0.235 8.83 2 0.0 0.0
64 2 0 10 24.927 49.854 0.236 8.79 2 190.9 18.5
65 5 0 -5 24.995 49.991 0.236 8.73 2 0.0 0.0
66 4 2 -4 25.275 50.549 0.239 8.52 4 63.4 4.0
67 4 2 4 25.387 50.774 0.24 8.43 4 56.5 3.1
68 4 0 -8 25.657 51.314 0.242 8.23 2 1218.0 705.7
69 2 2 -8 25.73 51.461 0.243 8.18 4 1230.2 1430.4
70 2 2 8 25.841 51.683 0.244 8.1 4 1241.8 1443.3
71 4 0 8 25.879 51.758 0.244 8.07 2 1253.2 732.5
72 3 1 -9 25.942 51.884 0.245 8.02 4 64.2 3.8
73 1 0 11 26.033 52.065 0.245 7.96 2 0.0 0.0
74 3 1 9 26.128 52.256 0.246 7.9 4 14.1 0.2
75 5 1 -5 26.245 52.49 0.247 7.82 4 63.3 3.6
76 1 3 -5 26.349 52.697 0.248 7.75 4 275.1 67.8
77 1 3 5 26.383 52.766 0.248 7.72 4 79.8 5.7
78 5 1 5 26.416 52.831 0.249 7.7 4 277.6 68.6
79 3 3 -1 26.942 53.884 0.253 7.36 4 200.2 34.1
80 3 3 1 26.962 53.924 0.253 7.35 4 27.7 0.7
81 1 1 -11 27.175 54.35 0.255 7.22 4 149.4 18.6
82 6 0 -2 27.199 54.399 0.256 7.21 2 77.4 2.5
83 1 1 11 27.248 54.497 0.256 7.18 4 85.3 6.0
84 6 0 2 27.279 54.559 0.256 7.16 2 328.9 44.8
85 4 2 -6 27.466 54.933 0.258 7.05 4 356.8 103.7
86 4 2 6 27.625 55.25 0.259 6.96 4 30.2 0.7
87 3 3 -3 27.787 55.574 0.261 6.86 4 238.5 45.1
88 3 3 3 27.846 55.692 0.261 6.83 4 132.5 13.9
89 5 0 7 27.859 55.718 0.261 6.82 2 0.0 0.0
90 0 0 12 28.103 56.205 0.263 6.69 2 109.2 4.6
91 0 2 10 28.118 56.236 0.263 6.68 4 8.3 0.1
92 5 1 -7 28.798 57.596 0.269 6.33 4 120.5 10.6
93 1 3 -7 28.921 57.842 0.27 6.27 4 150.9 16.5
94 1 3 7 28.966 57.932 0.271 6.25 4 54.2 2.1
95 5 1 7 29.022 58.045 0.271 6.22 4 136.4 13.4
96 3 0 -11 29.046 58.092 0.271 6.21 2 0.0 0.0
97 3 3 -5 29.448 58.895 0.275 6.02 4 142.4 14.1
98 3 3 5 29.543 59.085 0.276 5.98 4 291.4 58.7
99 2 2 -10 29.585 59.171 0.276 5.96 4 91.1 5.7
100 2 2 10 29.712 59.423 0.277 5.9 4 28.9 0.6
101 3 1 -11 30.18 60.36 0.281 5.7 4 74.3 3.6
102 4 2 -8 30.362 60.725 0.283 5.62 4 58.1 2.2
103 3 1 11 30.386 60.771 0.283 5.61 4 57.8 2.2
104 6 0 -6 30.468 60.935 0.283 5.58 2 436.5 61.4
105 4 2 8 30.561 61.122 0.284 5.54 4 80.4 4.1
106 6 0 6 30.691 61.382 0.285 5.49 2 0.2 0.0
107 5 0 -9 30.911 61.821 0.287 5.4 2 0.0 0.0
108 1 0 -13 31.012 62.023 0.288 5.36 2 0.0 0.0
109 6 2 0 31.394 62.788 0.291 5.22 4 1345.0 1091.6
110 0 4 0 31.441 62.883 0.292 5.2 2 1306.9 513.6
111 6 2 -2 31.753 63.507 0.294 5.09 4 34.1 0.7
112 6 2 2 31.826 63.652 0.295 5.07 4 83.4 4.1
113 0 4 2 31.837 63.674 0.295 5.06 4 112.5 7.4
114 3 3 -7 31.846 63.691 0.295 5.06 4 136.3 10.9
115 7 0 1 31.861 63.722 0.295 5.05 2 0.0 0.0
116 3 3 7 31.973 63.945 0.296 5.02 4 244.1 34.6
117 5 1 -9 32.005 64.01 0.296 5.0 4 114.2 7.5
118 1 1 -13 32.104 64.208 0.297 4.97 4 51.2 1.5
119 1 3 -9 32.145 64.29 0.297 4.96 4 29.9 0.5
120 1 1 13 32.183 64.365 0.298 4.94 4 247.6 35.0
121 1 3 9 32.199 64.398 0.298 4.94 4 158.2 14.3
122 5 1 9 32.276 64.552 0.299 4.91 4 26.8 0.4
123 7 0 -3 32.56 65.119 0.301 4.82 2 0.0 0.0
124 0 2 12 32.577 65.155 0.301 4.82 4 74.9 3.1
125 2 4 0 32.878 65.756 0.303 4.72 4 127.7 8.9
126 6 2 -4 32.89 65.78 0.304 4.72 4 75.9 3.1
127 7 1 -1 32.896 65.792 0.304 4.72 4 13.9 0.1
128 5 3 -1 32.933 65.866 0.304 4.71 4 47.6 1.2
129 7 1 1 32.938 65.876 0.304 4.7 4 54.9 1.6
130 5 3 1 32.963 65.925 0.304 4.7 4 87.5 4.2
131 0 4 4 33.007 66.015 0.305 4.68 4 67.3 2.4
132 6 2 4 33.033 66.065 0.305 4.67 4 65.3 2.3
133 2 4 -2 33.252 66.505 0.307 4.61 4 67.2 2.4
134 2 4 2 33.276 66.552 0.307 4.6 4 173.7 16.1
135 7 1 -3 33.625 67.25 0.31 4.5 4 146.3 11.1
136 5 3 -3 33.673 67.346 0.31 4.49 4 69.1 2.5
137 7 1 3 33.748 67.497 0.311 4.47 4 66.0 2.2
138 5 3 3 33.761 67.522 0.311 4.46 4 148.0 11.3
139 4 0 -12 33.832 67.665 0.311 4.44 2 513.7 67.8
140 4 2 -10 33.87 67.739 0.312 4.43 4 6.9 0.0
141 2 2 -12 33.918 67.836 0.312 4.42 4 350.8 62.9
142 3 0 13 34.025 68.049 0.313 4.39 2 0.0 0.0
143 2 2 12 34.058 68.117 0.313 4.38 4 525.9 140.1
144 4 2 10 34.104 68.208 0.313 4.37 4 143.9 10.5
145 4 0 12 34.114 68.227 0.314 4.37 2 346.3 30.3
146 7 0 5 34.262 68.524 0.315 4.33 2 0.0 0.0
147 2 4 -4 34.386 68.772 0.316 4.3 4 108.2 5.8
148 2 4 4 34.433 68.866 0.316 4.29 4 104.9 5.5
149 2 0 -14 34.651 69.303 0.318 4.23 2 403.9 39.9
150 6 2 -6 34.764 69.528 0.319 4.2 4 32.7 0.5
151 2 0 14 34.814 69.627 0.319 4.19 2 177.3 7.6
152 3 1 -13 34.842 69.684 0.319 4.18 4 98.2 4.7
153 3 3 -9 34.904 69.809 0.32 4.17 4 75.1 2.7
154 0 4 6 34.913 69.826 0.32 4.17 4 112.9 6.1
155 6 2 6 34.972 69.945 0.32 4.15 4 78.0 2.9
156 3 3 9 35.06 70.121 0.321 4.13 4 86.2 3.6
157 3 1 13 35.068 70.135 0.321 4.13 4 103.2 5.1
158 5 0 11 35.077 70.155 0.321 4.13 2 0.0 0.0
159 7 1 -5 35.1 70.2 0.321 4.12 4 95.3 4.3
160 5 3 -5 35.159 70.318 0.322 4.11 4 153.3 11.2
161 7 1 5 35.302 70.603 0.323 4.07 4 157.5 11.7
162 5 3 5 35.303 70.606 0.323 4.07 4 81.2 3.1
163 5 1 -11 35.793 71.585 0.327 3.96 4 77.9 2.8
164 1 3 -11 35.948 71.896 0.328 3.93 4 9.0 0.0
165 1 3 11 36.011 72.022 0.329 3.92 4 88.3 3.5
166 5 1 11 36.107 72.214 0.329 3.9 4 12.9 0.1
167 2 4 -6 36.247 72.493 0.331 3.87 4 180.3 14.5
168 7 0 -7 36.268 72.536 0.331 3.86 2 0.0 0.0
169 2 4 6 36.315 72.63 0.331 3.85 4 132.0 7.8
170 1 0 15 36.455 72.91 0.332 3.83 2 0.0 0.0
171 6 0 -10 36.546 73.092 0.333 3.81 2 218.6 10.5
172 6 0 10 36.886 73.772 0.336 3.74 2 179.1 6.9
173 8 0 0 36.958 73.917 0.336 3.73 2 427.0 39.3
174 4 4 0 37.017 74.034 0.337 3.72 4 424.7 77.5
175 7 1 -7 37.284 74.568 0.339 3.67 4 62.7 1.7
176 6 2 -8 37.329 74.657 0.339 3.66 4 187.2 14.8
177 5 3 -7 37.352 74.705 0.339 3.66 4 96.5 3.9
178 4 4 -2 37.361 74.722 0.339 3.65 4 19.8 0.2
179 1 1 -15 37.385 74.769 0.339 3.65 4 223.2 21.0
180 4 4 2 37.406 74.812 0.34 3.65 4 71.1 2.1
181 0 2 14 37.467 74.935 0.34 3.63 4 156.3 10.3
182 1 1 15 37.469 74.938 0.34 3.63 4 210.6 18.6
183 0 4 8 37.507 75.014 0.34 3.63 4 191.3 15.3
184 5 3 7 37.549 75.098 0.341 3.62 4 1.3 0.0
185 7 1 7 37.559 75.119 0.341 3.62 4 39.9 0.7
186 6 2 8 37.598 75.197 0.341 3.61 4 217.2 19.7
187 4 2 -12 37.939 75.879 0.344 3.55 4 46.5 0.9
188 4 2 12 38.208 76.415 0.346 3.51 4 43.8 0.8
189 8 0 -4 38.329 76.659 0.347 3.49 2 460.0 42.7
190 4 4 -4 38.432 76.863 0.347 3.47 4 374.3 56.3
191 8 0 4 38.508 77.015 0.348 3.46 2 367.2 27.0
192 4 4 4 38.521 77.042 0.348 3.46 4 469.5 88.2
193 3 3 -11 38.573 77.147 0.349 3.45 4 161.1 10.4
194 2 2 -14 38.722 77.444 0.35 3.43 4 7.7 0.0
195 3 3 11 38.757 77.514 0.35 3.43 4 106.3 4.5
196 2 4 -8 38.795 77.59 0.35 3.42 4 119.7 5.7
197 2 2 14 38.878 77.756 0.351 3.41 4 93.6 3.5
198 2 4 8 38.884 77.768 0.351 3.41 4 99.2 3.9
199 0 0 16 38.908 77.816 0.351 3.4 2 1164.7 266.8
200 3 0 -15 38.963 77.925 0.352 3.39 2 0.0 0.0
201 5 0 -13 39.146 78.292 0.353 3.37 2 0.0 0.0
202 7 0 9 39.498 78.996 0.356 3.32 2 0.0 0.0
203 3 1 -15 39.956 79.911 0.359 3.26 4 93.7 3.3
204 5 1 -13 40.138 80.275 0.36 3.24 4 39.8 0.6
205 7 1 -9 40.141 80.282 0.36 3.24 4 7.1 0.0
206 3 1 15 40.203 80.407 0.361 3.23 4 80.9 2.4
207 4 4 -6 40.211 80.422 0.361 3.23 4 116.5 5.1
208 5 3 -9 40.219 80.438 0.361 3.23 4 62.7 1.5
209 1 3 -13 40.309 80.619 0.362 3.22 4 149.3 8.3
210 4 4 6 40.343 80.686 0.362 3.21 4 83.7 2.6
211 1 3 13 40.381 80.762 0.362 3.21 4 28.0 0.3
212 5 3 9 40.466 80.933 0.363 3.2 4 73.5 2.0
213 7 1 9 40.487 80.975 0.363 3.2 4 28.2 0.3
214 5 1 13 40.495 80.991 0.363 3.19 4 153.1 8.7
215 6 2 -10 40.548 81.096 0.363 3.19 4 31.5 0.4
216 0 4 10 40.755 81.51 0.365 3.17 4 28.0 0.3
217 6 2 10 40.877 81.754 0.366 3.15 4 7.6 0.0
218 8 2 0 40.948 81.895 0.366 3.14 4 67.2 1.6
219 7 3 -1 41.035 82.071 0.367 3.13 4 145.9 7.7
220 7 3 1 41.074 82.147 0.367 3.13 4 46.9 0.8
221 1 5 -1 41.109 82.217 0.368 3.13 4 171.8 10.7
222 1 5 1 41.114 82.228 0.368 3.13 4 26.2 0.2
223 8 2 -2 41.26 82.52 0.369 3.11 4 115.1 4.8
224 8 2 2 41.348 82.696 0.369 3.1 4 309.0 34.2
225 7 3 -3 41.709 83.418 0.372 3.07 4 205.6 15.0
226 1 5 -3 41.815 83.63 0.373 3.06 4 211.6 15.8
227 7 3 3 41.824 83.648 0.373 3.05 4 132.7 6.2
228 1 5 3 41.831 83.662 0.373 3.05 4 141.6 7.1
229 2 4 -10 42.005 84.011 0.374 3.04 4 17.7 0.1
230 2 4 10 42.115 84.229 0.375 3.03 4 156.5 8.6
231 1 0 -17 42.14 84.28 0.375 3.03 2 0.0 0.0
232 8 2 -4 42.283 84.566 0.376 3.01 4 34.2 0.4
233 8 2 4 42.457 84.914 0.377 3.0 4 26.1 0.2
234 8 0 -8 42.537 85.075 0.378 2.99 2 826.9 118.2
235 4 2 -14 42.577 85.154 0.378 2.99 4 294.3 29.9
236 9 0 -1 42.626 85.253 0.379 2.98 2 0.0 0.0
237 7 0 -11 42.681 85.361 0.379 2.98 2 0.0 0.0
238 4 4 -8 42.681 85.362 0.379 2.98 4 792.7 216.4
239 3 3 -13 42.847 85.693 0.38 2.97 4 98.0 3.3
240 0 2 16 42.849 85.698 0.38 2.97 4 43.6 0.7
241 4 4 8 42.855 85.71 0.38 2.97 4 815.4 227.9
242 4 2 14 42.882 85.764 0.38 2.96 4 176.7 10.7
243 8 0 8 42.886 85.772 0.38 2.96 2 873.1 130.6
244 3 3 13 43.059 86.118 0.382 2.95 4 212.8 15.4
245 7 3 -5 43.089 86.179 0.382 2.95 4 101.5 3.5
246 1 1 -17 43.118 86.235 0.382 2.95 4 15.0 0.1
247 1 1 17 43.21 86.42 0.383 2.94 4 61.0 1.3
248 1 5 -5 43.227 86.455 0.383 2.94 4 122.8 5.1
249 1 5 5 43.255 86.509 0.383 2.93 4 220.1 16.4
250 7 3 5 43.28 86.56 0.383 2.93 4 224.1 17.0
251 9 0 3 43.432 86.864 0.384 2.92 2 0.0 0.0
252 6 4 0 43.592 87.183 0.385 2.91 4 116.3 4.6
253 9 1 -1 43.603 87.206 0.386 2.91 4 69.1 1.6
254 9 1 1 43.652 87.303 0.386 2.91 4 33.0 0.4
255 7 1 -11 43.657 87.314 0.386 2.91 4 147.5 7.3
256 3 5 -1 43.704 87.407 0.386 2.9 4 73.6 1.8
257 3 5 1 43.72 87.44 0.386 2.9 4 117.7 4.6
258 5 3 -11 43.745 87.49 0.387 2.9 4 33.8 0.4
259 6 4 -2 43.913 87.825 0.388 2.89 4 11.5 0.0
260 4 0 -16 43.958 87.915 0.388 2.89 2 405.5 27.4
261 6 4 2 43.978 87.955 0.388 2.89 4 230.8 17.8
262 8 2 -6 44.009 88.018 0.388 2.88 4 269.3 24.2
263 5 3 11 44.044 88.087 0.389 2.88 4 133.7 6.0
264 2 2 -16 44.059 88.117 0.389 2.88 4 393.5 51.6
265 7 1 11 44.075 88.151 0.389 2.88 4 27.5 0.3
266 2 2 16 44.232 88.465 0.39 2.87 4 422.1 59.1
267 9 1 -3 44.261 88.522 0.39 2.87 4 188.6 11.8
268 8 2 6 44.27 88.539 0.39 2.87 4 43.9 0.6
269 4 0 16 44.305 88.61 0.39 2.87 2 434.4 31.3
270 3 5 -3 44.394 88.788 0.391 2.86 4 70.1 1.6
271 9 1 3 44.407 88.815 0.391 2.86 4 45.2 0.7
272 6 2 -12 44.418 88.835 0.391 2.86 4 17.1 0.1
273 3 5 3 44.443 88.886 0.391 2.86 4 192.7 12.3
274 5 0 15 44.511 89.021 0.392 2.85 2 0.0 0.0
275 9 0 -5 44.65 89.3 0.393 2.85 2 0.0 0.0
276 0 4 12 44.655 89.311 0.393 2.85 4 39.6 0.5
277 6 2 12 44.809 89.617 0.394 2.84 4 63.7 1.3
278 3 0 17 44.918 89.836 0.395 2.83 2 0.0 0.0
279 6 4 -4 44.94 89.879 0.395 2.83 4 59.0 1.1
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 -1 8.94 17.879 5.75604 329.2 18.1 18.4 5.6
2 0 0 4 9.034 18.068 5.69657 162.3 8.9 9.1 5.6
3 2 0 2 9.796 19.591 5.25736 243.8 13.4 13.6 5.6
4 1 1 -3 10.996 21.991 4.68952 198.3 10.9 11.0 5.6
5 1 1 -5 14.292 28.584 3.62335 26.9 1.5 1.5 5.6
6 1 1 5 14.348 28.697 3.60935 126.5 7.0 7.0 5.6
7 3 1 1 15.288 30.576 3.39233 50.8 2.8 2.8 5.6
8 0 2 2 15.806 31.611 3.28395 77.6 4.3 4.3 5.6
9 2 0 -6 16.164 32.327 3.21306 97.2 5.4 5.4 5.6
10 2 0 6 16.285 32.57 3.18975 37.0 2.0 2.0 5.6
11 3 1 -3 16.565 33.13 3.13737 29.8 1.6 1.6 5.6
12 3 1 3 16.654 33.308 3.12104 35.7 2.0 2.0 5.6
13 2 2 0 17.519 35.038 2.97137 1815.2 100.0 100.0 5.7
14 1 1 -7 18.226 36.453 2.85978 31.6 1.7 1.7 5.7
15 0 0 8 18.303 36.605 2.84828 228.0 12.6 12.5 5.7
16 3 1 -5 18.968 37.936 2.75184 37.8 2.1 2.1 5.7
17 3 1 5 19.1 38.2 2.73351 32.9 1.8 1.8 5.7
18 4 0 -4 19.757 39.514 2.64606 206.6 11.4 11.3 5.7
19 2 2 -4 19.813 39.627 2.63886 921.8 50.8 50.6 5.7
20 4 0 4 19.893 39.787 2.62868 860.6 47.4 47.2 5.7
21 0 2 6 20.574 41.148 2.54527 118.8 6.5 6.5 5.7
22 3 1 -7 22.166 44.332 2.37074 66.7 3.7 3.6 5.7
23 3 1 7 22.329 44.657 2.35434 38.7 2.1 2.1 5.7
24 1 1 -9 22.548 45.096 2.33261 18.7 1.0 1.0 5.7
25 1 3 1 23.601 47.202 2.23413 32.6 1.8 1.8 5.7
26 4 2 2 23.962 47.923 2.20243 86.8 4.8 4.7 5.7
27 5 1 -3 24.454 48.909 2.16071 66.1 3.6 3.6 5.7
28 1 3 3 24.556 49.112 2.15229 73.5 4.1 4.0 5.7
29 2 0 10 24.927 49.854 2.12228 18.5 1.0 1.0 5.7
30 4 0 -8 25.657 51.314 2.06581 705.7 38.9 38.2 5.8
31 2 2 -8 25.73 51.461 2.06031 1430.4 78.8 77.4 5.8
32 2 2 8 25.841 51.683 2.05207 1443.3 79.5 78.1 5.8
33 4 0 8 25.879 51.758 2.04931 732.5 40.4 39.6 5.8
34 1 3 -5 26.349 52.697 2.01531 67.8 3.7 3.7 5.8
35 5 1 5 26.416 52.831 2.01057 68.6 3.8 3.7 5.8
36 3 3 -1 26.942 53.884 1.97416 34.8 1.9 1.9 5.8
37 1 1 -11 27.175 54.35 1.95849 21.1 1.2 1.1 5.8
38 6 0 2 27.279 54.559 1.95156 44.8 2.5 2.4 5.8
39 4 2 -6 27.466 54.933 1.9393 103.7 5.7 5.6 5.8
40 3 3 -3 27.787 55.574 1.91868 45.1 2.5 2.4 5.8
41 3 3 5 29.543 59.085 1.81405 58.7 3.2 3.1 5.8
42 6 0 -6 30.468 60.935 1.76404 61.4 3.4 3.3 5.8
43 6 2 0 31.394 62.788 1.71707 1091.6 60.1 58.2 5.9
44 0 4 0 31.441 62.883 1.71475 513.6 28.3 27.4 5.9
45 3 3 -7 31.846 63.691 1.69523 22.3 1.2 1.2 5.9
46 3 3 7 31.973 63.945 1.68921 34.6 1.9 1.8 5.9
47 1 1 13 32.183 64.365 1.67936 49.3 2.7 2.6 5.9
48 2 4 2 33.276 66.552 1.63023 18.5 1.0 1.0 5.9
49 4 0 -12 33.832 67.665 1.60653 67.8 3.7 3.6 5.9
50 2 2 -12 33.918 67.836 1.60296 62.9 3.5 3.3 5.9
51 2 2 12 34.058 68.117 1.59714 140.1 7.7 7.4 5.9
52 4 0 12 34.114 68.227 1.59487 40.7 2.2 2.2 5.9
53 2 0 -14 34.651 69.303 1.57315 39.9 2.2 2.1 5.9
54 8 0 0 36.958 73.917 1.4877 39.3 2.2 2.1 6.0
55 4 4 0 37.017 74.034 1.48569 77.5 4.3 4.0 6.0
56 6 2 -8 37.329 74.657 1.47507 18.8 1.0 1.0 6.0
57 1 1 -15 37.385 74.769 1.47318 23.2 1.3 1.2 6.0
58 1 1 15 37.469 74.938 1.47035 28.9 1.6 1.5 6.0
59 6 2 8 37.598 75.197 1.46603 19.7 1.1 1.0 6.0
60 8 0 -4 38.329 76.659 1.44226 42.7 2.4 2.2 6.0
61 4 4 -4 38.432 76.863 1.43901 56.3 3.1 2.9 6.0
62 4 4 4 38.521 77.042 1.43619 115.2 6.3 6.0 6.0
63 0 0 16 38.908 77.816 1.42414 274.1 15.1 14.2 6.0
64 8 2 2 41.348 82.696 1.35395 34.2 1.9 1.8 6.1
65 1 5 -3 41.815 83.63 1.34157 29.1 1.6 1.5 6.1
66 8 0 -8 42.537 85.075 1.32303 118.2 6.5 6.0 6.1
67 4 2 -14 42.577 85.154 1.32203 29.9 1.6 1.5 6.1
68 4 4 -8 42.681 85.362 1.31943 216.4 11.9 11.0 6.1
69 4 4 8 42.855 85.71 1.3151 231.8 12.8 11.8 6.1
70 8 0 8 42.886 85.772 1.31434 141.2 7.8 7.2 6.1
71 3 3 13 43.059 86.118 1.31008 18.9 1.0 1.0 6.1
72 7 3 5 43.28 86.56 1.30471 33.5 1.8 1.7 6.1
73 4 0 -16 43.958 87.915 1.28861 45.2 2.5 2.3 6.2
74 8 2 -6 44.009 88.018 1.28742 24.2 1.3 1.2 6.2
75 2 2 -16 44.059 88.117 1.28626 57.5 3.2 2.9 6.2
76 2 2 16 44.232 88.465 1.28225 70.9 3.9 3.6 6.2
77 4 0 16 44.305 88.61 1.28058 31.3 1.7 1.6 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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