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
8, 5C, f-pyrrhotite
(Fe,Ni)(9)S(10)
Orthorhombic C mca Z = 8
R =0.072
27 .4 .17
Ref.Str.:
De Villiers J.P.R., Liles D.C. (2009)
* Amer. Mineral., 94, 1405-1410
L: $Fe8.892 Ni0.115 S10$
R: Locality - Copper Cliff North Mine, Sudbury, Canada.
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.893 alpha = 90.0
b = 11.939 beta = 90.0
c = 28.635 gamma = 90.0
Unit cell volume (cub. angs.) = 2356.53
Molar volume ( cub.cm/mol.) = 177.43
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.5 0.0 0.5 0.0 Fe = 0.76, Ni = 0.24
2 0.25 0.25 0.5 0.0 Fe = 1.00
3 0.0 0.9983 0.6978 0.0 Fe = 1.00
4 0.5 0.014 0.6007 0.0 Fe = 1.00
5 0.0 0.4855 0.7008 0.0 Fe = 1.00
6 0.0 0.9988 0.5947 0.0 Fe = 0.86, Fe = 0.0
7 0.2732 0.2395 0.6015 0.0 Fe = 1.00
8 0.2311 0.2569 0.7015 0.0 Fe = 0.77, Fe = 0.0
9 0.5 0.1683 0.4466 0.0 S = 1.00
10 0.0 0.165 0.6483 0.0 S = 1.00
11 0.0 0.3326 0.7531 0.0 S = 1.00
12 0.25 0.0806 0.75 0.0 S = 1.00
13 0.5 0.1645 0.6562 0.0 S = 1.00
14 0.5 0.3301 0.5496 0.0 S = 1.00
15 0.2515 0.0828 0.5484 0.0 S = 1.00
16 0.2499 0.4154 0.6477 0.0 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.5 0.0 0.5
2 2 0.25 0.25 0.5
3 3 0.0 0.9983 0.6978
4 4 0.5 0.014 0.6007
5 5 0.0 0.4855 0.7008
6 6 0.0 0.9988 0.5947
7 7 0.2732 0.2395 0.6015
8 8 0.2311 0.2569 0.7015
9 9 0.5 0.1683 0.4466
10 10 0.0 0.165 0.6483
11 11 0.0 0.3326 0.7531
12 12 0.25 0.0806 0.75
13 13 0.5 0.1645 0.6562
14 14 0.5 0.3301 0.5496
15 15 0.2515 0.0828 0.5484
16 16 0.2499 0.4154 0.6477
17 1 0.0 0.0 0.0
18 2 0.25 0.75 0.0
19 3 0.5 0.0017 0.1978
20 4 0.0 0.986 0.1007
21 5 0.5 0.5145 0.2008
22 6 0.5 0.0012 0.0947
23 7 0.2268 0.7605 0.1015
24 8 0.2689 0.7431 0.2015
25 9 0.0 0.8317 0.9466
26 10 0.5 0.835 0.1483
27 11 0.5 0.6674 0.2531
28 12 0.25 0.9194 0.25
29 13 0.0 0.8355 0.1562
30 14 0.0 0.6699 0.0496
31 15 0.2485 0.9172 0.0484
32 16 0.2501 0.5846 0.1477
33 2 0.75 0.25 0.5
34 7 0.7268 0.2395 0.6015
35 8 0.7689 0.2569 0.7015
36 12 0.75 0.0806 0.75
37 15 0.7485 0.0828 0.5484
38 16 0.7501 0.4154 0.6477
39 2 0.75 0.75 0.0
40 7 0.7732 0.7605 0.1015
41 8 0.7311 0.7431 0.2015
42 12 0.75 0.9194 0.25
43 15 0.7515 0.9172 0.0484
44 16 0.7499 0.5846 0.1477
45 2 0.75 0.25 0.0
46 3 0.5 0.9983 0.8022
47 4 0.0 0.014 0.8993
48 5 0.5 0.4855 0.7992
49 6 0.5 0.9988 0.9053
50 7 0.7732 0.2395 0.8985
51 8 0.7311 0.2569 0.7985
52 9 0.0 0.1683 0.0534
53 10 0.5 0.165 0.8517
54 11 0.5 0.3326 0.7469
55 13 0.0 0.1645 0.8438
56 14 0.0 0.3301 0.9504
57 15 0.7515 0.0828 0.9516
58 16 0.7499 0.4154 0.8523
59 2 0.75 0.75 0.5
60 3 0.0 0.0017 0.3022
61 4 0.5 0.986 0.3993
62 5 0.0 0.5145 0.2992
63 6 0.0 0.0012 0.4053
64 7 0.7268 0.7605 0.3985
65 8 0.7689 0.7431 0.2985
66 9 0.5 0.8317 0.5534
67 10 0.0 0.835 0.3517
68 11 0.0 0.6674 0.2469
69 13 0.5 0.8355 0.3438
70 14 0.5 0.6699 0.4504
71 15 0.7485 0.9172 0.4516
72 16 0.7501 0.5846 0.3523
73 2 0.25 0.25 0.0
74 7 0.2268 0.2395 0.8985
75 8 0.2689 0.2569 0.7985
76 15 0.2485 0.0828 0.9516
77 16 0.2501 0.4154 0.8523
78 2 0.25 0.75 0.5
79 7 0.2732 0.7605 0.3985
80 8 0.2311 0.7431 0.2985
81 15 0.2515 0.9172 0.4516
82 16 0.2499 0.5846 0.3523
83 1 0.5 0.5 0.0
84 3 0.0 0.4983 0.8022
85 4 0.5 0.514 0.8993
86 5 0.0 0.9855 0.7992
87 6 0.0 0.4988 0.9053
88 7 0.2732 0.7395 0.8985
89 8 0.2311 0.7569 0.7985
90 9 0.5 0.6683 0.0534
91 10 0.0 0.665 0.8517
92 11 0.0 0.8326 0.7469
93 12 0.25 0.5806 0.75
94 13 0.5 0.6645 0.8438
95 14 0.5 0.8301 0.9504
96 15 0.2515 0.5828 0.9516
97 16 0.2499 0.9154 0.8523
98 1 0.0 0.5 0.5
99 3 0.5 0.5017 0.3022
100 4 0.0 0.486 0.3993
101 5 0.5 0.0145 0.2992
102 6 0.5 0.5012 0.4053
103 7 0.2268 0.2605 0.3985
104 8 0.2689 0.2431 0.2985
105 9 0.0 0.3317 0.5534
106 10 0.5 0.335 0.3517
107 11 0.5 0.1674 0.2469
108 12 0.25 0.4194 0.25
109 13 0.0 0.3355 0.3438
110 14 0.0 0.1699 0.4504
111 15 0.2485 0.4172 0.4516
112 16 0.2501 0.0846 0.3523
113 7 0.7268 0.7395 0.8985
114 8 0.7689 0.7569 0.7985
115 12 0.75 0.5806 0.75
116 15 0.7485 0.5828 0.9516
117 16 0.7501 0.9154 0.8523
118 7 0.7732 0.2605 0.3985
119 8 0.7311 0.2431 0.2985
120 12 0.75 0.4194 0.25
121 15 0.7515 0.4172 0.4516
122 16 0.7499 0.0846 0.3523
123 3 0.5 0.4983 0.6978
124 4 0.0 0.514 0.6007
125 5 0.5 0.9855 0.7008
126 6 0.5 0.4988 0.5947
127 7 0.7732 0.7395 0.6015
128 8 0.7311 0.7569 0.7015
129 9 0.0 0.6683 0.4466
130 10 0.5 0.665 0.6483
131 11 0.5 0.8326 0.7531
132 13 0.0 0.6645 0.6562
133 14 0.0 0.8301 0.5496
134 15 0.7515 0.5828 0.5484
135 16 0.7499 0.9154 0.6477
136 3 0.0 0.5017 0.1978
137 4 0.5 0.486 0.1007
138 5 0.0 0.0145 0.2008
139 6 0.0 0.5012 0.0947
140 7 0.7268 0.2605 0.1015
141 8 0.7689 0.2431 0.2015
142 9 0.5 0.3317 0.9466
143 10 0.0 0.335 0.1483
144 11 0.0 0.1674 0.2531
145 13 0.5 0.3355 0.1562
146 14 0.5 0.1699 0.0496
147 15 0.7485 0.4172 0.0484
148 16 0.7501 0.0846 0.1477
149 7 0.2268 0.7395 0.6015
150 8 0.2689 0.7569 0.7015
151 15 0.2485 0.5828 0.5484
152 16 0.2501 0.9154 0.6477
153 7 0.2732 0.2605 0.1015
154 8 0.2311 0.2431 0.2015
155 15 0.2515 0.4172 0.0484
156 16 0.2499 0.0846 0.1477
X-ray density (g/cm cub.) = 4.61
MU (1/cm) = 394.527 Mass attenuation coefficient (cm**2/g) = 85.546
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Ni 3.144 6
2.525 9
2.415 15
2.415 15
2.525 9
2.415 15
2.415 15
2 Fe 3.144 6
2.5018 9
2.4293 14
2.4302 15
2.5018 9
2.4293 14
2.4302 15
3 Fe 3.144 6
2.4434 10
2.4838 12
2.4838 12
2.427 11
2.4515 16
2.4515 16
4 Fe 3.144 6
2.3988 13
2.419 15
2.419 15
2.5635 9
2.4828 16
2.4828 16
5 Fe 3.144 6
2.3612 11
2.4453 16
2.4453 16
2.4987 12
2.4987 12
2.4896 13
6 Fe ,Fe 3.144 6
2.5086 10
2.4018 15
2.4018 15
2.3926 14
2.5033 16
2.5033 16
7 Fe 3.144 6
2.4766 10
2.3873 13
2.413 14
2.4154 15
2.4872 16
2.5797 9
8 Fe ,Fe 3.144 6
2.4621 10
2.3532 11
2.5251 12
2.517 13
2.4436 16
2.4377 11
9 S 4.368 12
3.5257 14
3.5318 15
3.5318 15
3.4557 15
3.4557 15
3.3683 10
3.4483 14
3.4483 14
3.4433 15
3.3552 16
3.4433 15
3.3552 16
10 S 4.368 12
3.6069 11
3.5307 12
3.4539 13
3.4539 13
3.4859 15
3.4503 16
3.5307 12
3.4859 15
3.4503 16
3.3683 9
3.4427 16
3.4427 16
11 S 4.368 12
3.6069 10
3.4683 12
3.613 16
3.4683 12
3.613 16
3.4511 11
3.4511 11
3.2823 13
3.4667 16
3.4667 16
3.427 12
3.427 12
12 S 4.368 12
3.5307 10
3.4683 11
3.3448 13
3.4465 12
3.4465 12
3.5307 10
3.4683 11
3.3448 13
3.427 11
3.5315 16
3.427 11
3.5315 16
13 S 4.368 12
3.4539 10
3.4539 10
3.3448 12
3.6368 14
3.6625 15
3.4647 16
3.3448 12
3.6625 15
3.4647 16
3.2823 11
3.4455 16
3.4455 16
14 S 4.368 12
3.5257 9
3.6368 13
3.4136 15
3.4497 16
3.4136 15
3.4497 16
3.4483 9
3.4483 9
3.4586 15
3.4586 15
3.4798 15
3.4798 15
15 S 4.368 12
3.5318 9
3.4859 10
3.6625 13
3.4136 14
3.4258 15
3.4672 15
3.4557 9
3.4047 15
3.4433 9
3.4586 14
3.4798 14
3.4756 16
16 S 4.368 12
3.4503 10
3.613 11
3.4647 13
3.4497 14
3.4479 16
3.4451 16
3.4667 11
3.5315 12
3.3552 9
3.4427 10
3.4455 13
3.4756 15
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 0 0 2 3.582 7.164 0.035 509.45 2 33.9 21.1
2 0 0 4 7.178 14.355 0.07 125.15 2 92.1 38.2
3 0 2 0 8.618 17.235 0.084 86.14 2 37.8 4.4
4 1 1 1 8.804 17.609 0.086 82.44 8 115.8 159.2
5 0 2 1 8.804 17.609 0.086 82.44 4 13.4 1.1
6 1 1 2 9.343 18.686 0.091 72.96 8 38.9 15.9
7 0 2 2 9.343 18.686 0.091 72.96 4 147.9 115.0
8 1 1 3 10.179 20.359 0.099 61.12 8 74.1 48.4
9 0 2 3 10.179 20.359 0.099 61.12 4 95.4 40.0
10 0 0 6 10.802 21.604 0.105 54.04 2 104.9 21.4
11 1 1 4 11.25 22.501 0.109 49.65 8 63.6 28.9
12 0 2 4 11.25 22.501 0.109 49.65 4 40.8 6.0
13 1 1 5 12.5 25.0 0.121 39.83 8 65.8 24.9
14 0 2 5 12.5 25.0 0.121 39.83 4 2.5 0.0
15 1 1 6 13.884 27.768 0.134 31.9 8 48.9 11.0
16 0 2 6 13.884 27.768 0.134 31.9 4 41.3 3.9
17 0 0 8 14.471 28.942 0.14 29.2 2 32.1 1.1
18 2 0 0 15.042 30.084 0.145 26.88 2 9.4 0.1
19 1 3 1 15.153 30.306 0.146 26.46 8 94.4 34.0
20 1 1 7 15.371 30.742 0.148 25.66 8 95.6 33.8
21 0 2 7 15.371 30.742 0.148 25.66 4 55.1 5.6
22 2 0 2 15.482 30.965 0.149 25.27 4 155.0 43.8
23 1 3 2 15.482 30.965 0.149 25.27 8 6.7 0.2
24 1 3 3 16.017 32.035 0.154 23.49 8 87.8 26.1
25 2 0 4 16.741 33.481 0.161 21.34 4 47.5 3.5
26 1 3 4 16.741 33.481 0.161 21.34 8 7.9 0.2
27 1 1 8 16.94 33.88 0.163 20.8 8 24.1 1.7
28 0 2 8 16.94 33.88 0.163 20.8 4 190.8 54.5
29 2 2 0 17.438 34.876 0.168 19.53 4 996.0 1395.4
30 0 4 0 17.438 34.876 0.168 19.53 2 999.4 702.5
31 2 2 1 17.536 35.071 0.168 19.29 8 14.3 0.6
32 0 4 1 17.536 35.071 0.168 19.29 4 29.1 1.2
33 1 3 5 17.632 35.264 0.169 19.06 8 63.1 10.9
34 2 2 2 17.825 35.651 0.171 18.61 8 28.1 2.1
35 0 4 2 17.826 35.651 0.171 18.61 4 15.2 0.3
36 0 0 10 18.202 36.404 0.175 17.78 2 549.5 193.3
37 2 2 3 18.3 36.599 0.176 17.57 8 5.1 0.1
38 0 4 3 18.3 36.599 0.176 17.57 4 15.7 0.3
39 1 1 9 18.576 37.153 0.178 17.0 8 139.6 47.7
40 0 2 9 18.576 37.153 0.178 17.0 4 15.8 0.3
41 2 0 6 18.671 37.341 0.179 16.81 4 51.7 3.2
42 1 3 6 18.671 37.341 0.179 16.81 8 7.5 0.1
43 2 2 4 18.946 37.892 0.181 16.28 8 76.5 13.7
44 0 4 4 18.946 37.892 0.181 16.28 4 44.5 2.3
45 2 2 5 19.751 39.502 0.189 14.84 8 784.3 1315.2
46 0 4 5 19.751 39.502 0.189 14.84 4 793.6 673.3
47 1 3 7 19.838 39.676 0.19 14.7 8 121.7 31.4
48 1 1 10 20.27 40.54 0.194 14.01 8 2.9 0.0
49 0 2 10 20.27 40.54 0.194 14.01 4 41.3 1.7
50 2 2 6 20.699 41.398 0.198 13.37 8 65.4 8.2
51 0 4 6 20.699 41.398 0.198 13.37 4 95.5 8.8
52 2 0 8 21.117 42.235 0.201 12.79 4 269.7 67.0
53 1 3 8 21.117 42.235 0.201 12.79 8 5.4 0.1
54 2 2 7 21.775 43.551 0.207 11.94 8 6.6 0.1
55 0 4 7 21.775 43.551 0.207 11.94 4 23.3 0.5
56 0 0 12 22.014 44.029 0.21 11.65 2 31.0 0.4
57 1 1 11 22.015 44.03 0.21 11.64 8 77.3 10.0
58 0 2 11 22.015 44.03 0.21 11.64 4 1.8 0.0
59 1 3 9 22.495 44.991 0.214 11.09 8 187.0 55.9
60 2 2 8 22.967 45.933 0.218 10.58 8 24.0 0.9
61 0 4 8 22.967 45.933 0.218 10.58 4 30.2 0.7
62 2 4 0 23.355 46.711 0.222 10.19 4 13.1 0.1
63 3 1 1 23.432 46.864 0.222 10.11 8 76.5 8.5
64 2 4 1 23.432 46.864 0.222 10.11 8 21.0 0.6
65 1 5 1 23.432 46.864 0.222 10.11 8 80.2 9.4
66 3 1 2 23.661 47.322 0.224 9.89 8 73.5 7.7
67 2 4 2 23.661 47.322 0.224 9.89 8 100.1 14.3
68 1 5 2 23.661 47.322 0.224 9.89 8 61.1 5.3
69 1 1 12 23.808 47.617 0.226 9.76 8 54.9 4.2
70 0 2 12 23.808 47.617 0.226 9.76 4 69.6 3.4
71 2 0 10 23.961 47.922 0.227 9.61 4 7.0 0.0
72 1 3 10 23.961 47.922 0.227 9.61 8 5.8 0.0
73 3 1 3 24.039 48.078 0.228 9.54 8 64.8 5.8
74 2 4 3 24.039 48.078 0.228 9.54 8 200.5 55.3
75 1 5 3 24.039 48.078 0.228 9.54 8 66.1 6.0
76 2 2 9 24.261 48.523 0.23 9.35 8 19.2 0.5
77 0 4 9 24.261 48.523 0.23 9.35 4 48.5 1.6
78 3 1 4 24.561 49.122 0.232 9.09 8 148.6 28.9
79 2 4 4 24.561 49.122 0.232 9.09 8 43.8 2.5
80 1 5 4 24.561 49.122 0.232 9.09 8 166.3 36.2
81 3 1 5 25.22 50.439 0.238 8.56 8 60.3 4.5
82 2 4 5 25.22 50.439 0.238 8.56 8 9.3 0.1
83 1 5 5 25.22 50.44 0.238 8.56 8 44.4 2.4
84 1 3 11 25.506 51.011 0.241 8.34 8 36.5 1.6
85 1 1 13 25.648 51.296 0.242 8.24 8 28.6 1.0
86 0 2 13 25.648 51.296 0.242 8.24 4 159.6 15.1
87 2 2 10 25.65 51.3 0.242 8.23 8 1691.5 3393.9
88 0 4 10 25.65 51.3 0.242 8.23 4 1677.1 1668.3
89 0 0 14 25.933 51.865 0.244 8.03 2 55.5 0.9
90 3 1 6 26.008 52.017 0.245 7.98 8 164.2 31.0
91 2 4 6 26.009 52.017 0.245 7.98 8 45.6 2.4
92 1 5 6 26.009 52.017 0.245 7.98 8 173.6 34.6
93 0 6 0 26.713 53.425 0.251 7.51 2 38.3 0.4
94 3 3 1 26.782 53.564 0.252 7.46 8 108.9 12.7
95 0 6 1 26.782 53.564 0.252 7.46 4 30.4 0.5
96 3 1 7 26.919 53.839 0.253 7.38 8 89.4 8.5
97 2 4 7 26.919 53.839 0.253 7.38 8 199.5 42.3
98 1 5 7 26.919 53.839 0.253 7.38 8 91.9 9.0
99 3 3 2 26.99 53.98 0.254 7.33 8 87.1 8.0
100 0 6 2 26.99 53.98 0.254 7.33 4 115.8 7.1
101 2 0 12 27.124 54.248 0.255 7.25 4 27.2 0.4
102 1 3 12 27.124 54.248 0.255 7.25 8 6.0 0.0
103 2 2 11 27.125 54.249 0.255 7.25 8 19.9 0.4
104 0 4 11 27.125 54.249 0.255 7.25 4 52.4 1.4
105 3 3 3 27.334 54.668 0.257 7.12 8 51.8 2.8
106 0 6 3 27.334 54.668 0.257 7.12 4 239.4 29.4
107 1 1 14 27.534 55.067 0.258 7.01 8 114.5 13.2
108 0 2 14 27.534 55.067 0.258 7.01 4 22.4 0.3
109 3 3 4 27.811 55.622 0.261 6.85 8 187.6 34.7
110 0 6 4 27.811 55.622 0.261 6.85 4 38.1 0.7
111 3 1 8 27.945 55.89 0.262 6.78 8 61.3 3.7
112 2 4 8 27.945 55.89 0.262 6.78 8 170.4 28.3
113 1 5 8 27.945 55.89 0.262 6.78 8 51.1 2.5
114 3 3 5 28.416 56.833 0.266 6.52 8 35.1 1.2
115 0 6 5 28.416 56.833 0.266 6.52 4 13.1 0.1
116 2 2 12 28.679 57.359 0.268 6.39 8 12.8 0.2
117 0 4 12 28.679 57.359 0.268 6.39 4 19.3 0.2
118 1 3 13 28.811 57.622 0.269 6.32 8 29.6 0.8
119 3 1 9 29.078 58.156 0.272 6.19 8 113.6 11.5
120 2 4 9 29.078 58.156 0.272 6.19 8 24.8 0.5
121 1 5 9 29.078 58.156 0.272 6.19 8 122.8 13.5
122 3 3 6 29.145 58.29 0.272 6.16 8 209.6 39.0
123 0 6 6 29.145 58.29 0.272 6.16 4 41.9 0.8
124 1 1 15 29.467 58.934 0.275 6.01 8 34.9 1.1
125 0 2 15 29.467 58.934 0.275 6.01 4 25.3 0.3
126 0 0 16 29.986 59.972 0.279 5.78 2 64.3 0.9
127 3 3 7 29.992 59.983 0.279 5.78 8 85.0 6.0
128 0 6 7 29.992 59.983 0.279 5.78 4 259.6 28.0
129 2 2 13 30.31 60.62 0.282 5.64 8 7.1 0.0
130 0 4 13 30.31 60.62 0.282 5.64 4 18.6 0.1
131 3 1 10 30.312 60.624 0.282 5.64 8 8.0 0.1
132 2 4 10 30.312 60.624 0.282 5.64 8 23.1 0.4
133 1 5 10 30.312 60.624 0.282 5.64 8 3.8 0.0
134 2 0 14 30.566 61.131 0.284 5.54 4 25.8 0.3
135 1 3 14 30.566 61.131 0.284 5.54 8 12.6 0.1
136 3 3 8 30.951 61.902 0.287 5.39 8 76.4 4.5
137 0 6 8 30.951 61.902 0.287 5.39 4 216.5 18.2
138 4 0 0 31.269 62.538 0.29 5.27 2 1884.3 673.4
139 2 6 0 31.269 62.538 0.29 5.27 4 1867.8 1323.3
140 2 6 1 31.332 62.664 0.291 5.24 8 76.7 4.4
141 1 1 16 31.451 62.901 0.292 5.2 8 147.3 16.3
142 0 2 16 31.451 62.901 0.292 5.2 4 32.7 0.4
143 4 0 2 31.52 63.041 0.292 5.17 4 15.9 0.1
144 2 6 2 31.52 63.041 0.292 5.17 8 9.8 0.1
145 3 1 11 31.642 63.285 0.293 5.13 8 62.5 2.9
146 2 4 11 31.642 63.285 0.293 5.13 8 18.6 0.3
147 1 5 11 31.642 63.285 0.293 5.13 8 66.7 3.3
148 2 6 3 31.833 63.666 0.295 5.06 8 28.6 0.6
149 2 2 14 32.015 64.03 0.296 5.0 8 21.3 0.3
150 0 4 14 32.015 64.03 0.296 5.0 4 43.8 0.7
151 3 3 9 32.018 64.036 0.296 5.0 8 191.3 26.4
152 0 6 9 32.018 64.036 0.296 5.0 4 38.4 0.5
153 4 0 4 32.268 64.536 0.298 4.92 4 33.2 0.4
154 2 6 4 32.268 64.536 0.298 4.92 8 32.1 0.7
155 1 3 15 32.386 64.772 0.299 4.88 8 47.7 1.6
156 4 2 0 32.701 65.401 0.302 4.78 4 41.0 0.6
157 4 2 1 32.762 65.524 0.303 4.76 8 10.8 0.1
158 3 5 1 32.762 65.524 0.303 4.76 8 28.5 0.6
159 1 7 1 32.762 65.524 0.303 4.76 8 36.9 0.9
160 2 6 5 32.823 65.646 0.303 4.74 8 4.7 0.0
161 4 2 2 32.946 65.892 0.304 4.7 8 108.0 7.9
162 3 5 2 32.946 65.892 0.304 4.7 8 31.7 0.7
163 1 7 2 32.946 65.892 0.304 4.7 8 17.3 0.2
164 3 1 12 33.065 66.129 0.305 4.67 8 51.9 1.8
165 2 4 12 33.065 66.13 0.305 4.67 8 74.1 3.7
166 1 5 12 33.065 66.13 0.305 4.67 8 38.5 1.0
167 3 3 10 33.188 66.376 0.306 4.63 8 0.5 0.0
168 0 6 10 33.188 66.376 0.306 4.63 4 32.8 0.4
169 4 2 3 33.252 66.503 0.307 4.61 8 61.1 2.5
170 3 5 3 33.252 66.503 0.307 4.61 8 92.7 5.7
171 1 7 3 33.252 66.503 0.307 4.61 8 93.0 5.7
172 1 1 17 33.488 66.975 0.308 4.54 8 110.5 8.0
173 0 2 17 33.488 66.975 0.308 4.54 4 154.1 7.8
174 4 0 6 33.494 66.989 0.308 4.54 4 45.0 0.7
175 2 6 6 33.494 66.989 0.308 4.54 8 43.4 1.2
176 4 2 4 33.677 67.354 0.31 4.49 8 56.4 2.1
177 3 5 4 33.677 67.354 0.31 4.49 8 24.7 0.4
178 1 7 4 33.677 67.354 0.31 4.49 8 57.8 2.2
179 2 2 15 33.793 67.585 0.311 4.46 8 595.8 227.8
180 0 4 15 33.793 67.585 0.311 4.46 4 588.7 111.2
181 0 0 18 34.212 68.424 0.314 4.34 2 23.2 0.1
182 4 2 5 34.22 68.44 0.314 4.34 8 1.7 0.0
183 3 5 5 34.22 68.44 0.314 4.34 8 66.7 2.8
184 1 7 5 34.22 68.44 0.314 4.34 8 58.5 2.1
185 2 0 16 34.274 68.548 0.315 4.33 4 22.4 0.2
186 1 3 16 34.274 68.548 0.315 4.33 8 3.5 0.0
187 2 6 7 34.28 68.559 0.315 4.32 8 9.1 0.1
188 3 3 11 34.458 68.915 0.316 4.28 8 7.4 0.0
189 0 6 11 34.458 68.915 0.316 4.28 4 13.8 0.1
190 3 1 13 34.576 69.152 0.317 4.25 8 35.0 0.8
191 2 4 13 34.576 69.152 0.317 4.25 8 86.0 4.5
192 1 5 13 34.576 69.152 0.317 4.25 8 34.5 0.7
193 4 2 6 34.878 69.757 0.32 4.17 8 56.7 1.9
194 3 5 6 34.878 69.757 0.32 4.17 8 22.1 0.3
195 1 7 6 34.878 69.757 0.32 4.17 8 42.8 1.1
196 4 0 8 35.175 70.35 0.322 4.1 4 22.2 0.1
197 2 6 8 35.175 70.35 0.322 4.1 8 16.0 0.2
198 1 1 18 35.583 71.166 0.325 4.01 8 26.1 0.4
199 0 2 18 35.583 71.166 0.325 4.01 4 289.9 24.3
200 2 2 16 35.644 71.288 0.326 4.0 8 71.5 2.9
201 0 4 16 35.644 71.288 0.326 4.0 4 47.1 0.6
202 4 2 7 35.649 71.298 0.326 4.0 8 36.0 0.7
203 3 5 7 35.649 71.298 0.326 4.0 8 106.7 6.6
204 1 7 7 35.649 71.298 0.326 4.0 8 107.7 6.7
205 3 3 12 35.824 71.647 0.327 3.96 8 91.0 4.7
206 0 6 12 35.824 71.647 0.327 3.96 4 37.1 0.4
207 3 1 14 36.175 72.35 0.33 3.88 8 48.1 1.3
208 2 4 14 36.175 72.35 0.33 3.88 8 25.4 0.4
209 1 5 14 36.175 72.35 0.33 3.88 8 63.9 2.3
210 2 6 9 36.178 72.356 0.33 3.88 8 15.2 0.1
211 1 3 17 36.231 72.463 0.33 3.87 8 74.4 3.1
212 4 2 8 36.53 73.06 0.333 3.81 8 142.2 11.1
213 3 5 8 36.53 73.06 0.333 3.81 8 21.3 0.2
214 1 7 8 36.53 73.06 0.333 3.81 8 11.1 0.1
215 4 4 0 36.824 73.647 0.335 3.75 4 692.4 129.6
216 0 8 0 36.824 73.647 0.335 3.75 2 660.7 59.0
217 4 4 1 36.882 73.764 0.335 3.74 8 19.0 0.2
218 0 8 1 36.882 73.764 0.335 3.74 4 39.2 0.4
219 4 4 2 37.056 74.113 0.337 3.71 8 5.4 0.0
220 0 8 2 37.056 74.113 0.337 3.71 4 13.6 0.0
221 3 3 13 37.284 74.569 0.339 3.67 8 5.8 0.0
222 0 6 13 37.285 74.569 0.339 3.67 4 230.7 14.1
223 4 0 10 37.286 74.572 0.339 3.67 4 369.1 36.0
224 2 6 10 37.286 74.573 0.339 3.67 8 356.9 67.3
225 4 4 3 37.347 74.693 0.339 3.66 8 0.5 0.0
226 0 8 3 37.347 74.693 0.339 3.66 4 26.9 0.2
227 4 2 9 37.519 75.037 0.34 3.63 8 12.8 0.1
228 3 5 9 37.519 75.037 0.34 3.63 8 57.0 1.7
229 1 7 9 37.519 75.037 0.34 3.63 8 56.3 1.7
230 2 2 17 37.571 75.142 0.341 3.62 8 10.8 0.1
231 0 4 17 37.571 75.142 0.341 3.62 4 1.9 0.0
232 1 1 19 37.743 75.486 0.342 3.59 8 217.4 24.4
233 0 2 19 37.743 75.486 0.342 3.59 4 14.3 0.1
234 4 4 4 37.751 75.503 0.342 3.59 8 7.8 0.0
235 0 8 4 37.752 75.503 0.342 3.59 4 50.6 0.7
236 3 1 15 37.862 75.723 0.343 3.57 8 36.7 0.7
237 2 4 15 37.862 75.723 0.343 3.57 8 8.3 0.0
238 1 5 15 37.862 75.723 0.343 3.57 8 30.1 0.5
239 2 0 18 38.262 76.525 0.346 3.5 4 133.7 4.5
240 1 3 18 38.263 76.525 0.346 3.5 8 3.6 0.0
241 4 4 5 38.27 76.54 0.346 3.5 8 584.6 172.3
242 0 8 5 38.27 76.54 0.346 3.5 4 568.7 81.5
243 2 6 11 38.497 76.995 0.348 3.46 8 18.4 0.2
244 4 2 10 38.613 77.225 0.349 3.45 8 29.8 0.4
245 3 5 10 38.613 77.225 0.349 3.45 8 1.1 0.0
246 1 7 10 38.613 77.225 0.349 3.45 8 5.5 0.0
247 0 0 20 38.663 77.325 0.349 3.44 2 1683.1 350.9
248 3 3 14 38.839 77.679 0.351 3.41 8 159.3 12.5
249 0 6 14 38.84 77.679 0.351 3.41 4 22.6 0.1
250 4 4 6 38.901 77.801 0.351 3.4 8 47.0 1.1
251 0 8 6 38.901 77.802 0.351 3.4 4 1.8 0.0
252 2 2 18 39.579 79.157 0.356 3.31 8 23.9 0.3
253 0 4 18 39.579 79.157 0.356 3.31 4 15.8 0.1
254 3 1 16 39.637 79.274 0.357 3.3 8 52.6 1.3
255 2 4 16 39.637 79.274 0.357 3.3 8 33.4 0.5
256 1 5 16 39.637 79.274 0.357 3.3 8 57.3 1.6
257 4 4 7 39.642 79.285 0.357 3.3 8 5.7 0.0
258 0 8 7 39.642 79.285 0.357 3.3 4 34.4 0.3
259 4 0 12 39.811 79.621 0.358 3.28 4 13.3 0.0
260 2 6 12 39.811 79.621 0.358 3.28 8 8.5 0.0
261 4 2 11 39.811 79.622 0.358 3.28 8 3.1 0.0
262 3 5 11 39.811 79.622 0.358 3.28 8 18.6 0.2
263 1 7 11 39.811 79.622 0.358 3.28 8 21.3 0.2
264 1 1 20 39.975 79.949 0.359 3.26 8 4.7 0.0
265 0 2 20 39.975 79.949 0.359 3.26 4 31.4 0.2
266 1 3 19 40.373 80.746 0.362 3.21 8 95.3 4.2
267 3 3 15 40.489 80.979 0.363 3.2 8 27.2 0.3
268 0 6 15 40.49 80.979 0.363 3.2 4 27.1 0.2
269 4 4 8 40.493 80.987 0.363 3.19 8 22.0 0.2
270 0 8 8 40.494 80.987 0.363 3.19 4 1.8 0.0
271 2 8 0 40.778 81.556 0.365 3.16 4 24.3 0.1
272 5 1 1 40.834 81.669 0.366 3.16 8 83.1 3.1
273 3 7 1 40.834 81.669 0.366 3.16 8 93.0 3.9
274 2 8 1 40.835 81.669 0.366 3.16 8 32.8 0.5
275 5 1 2 41.004 82.008 0.367 3.14 8 96.4 4.2
276 3 7 2 41.004 82.008 0.367 3.14 8 84.8 3.2
277 2 8 2 41.004 82.008 0.367 3.14 8 87.7 3.5
278 4 2 12 41.113 82.227 0.368 3.13 8 63.4 1.8
279 3 5 12 41.113 82.227 0.368 3.13 8 48.4 1.1
280 1 7 12 41.113 82.227 0.368 3.13 8 32.0 0.5
281 2 6 13 41.226 82.451 0.368 3.11 8 9.5 0.0
282 5 1 3 41.286 82.572 0.369 3.11 8 43.3 0.8
283 3 7 3 41.286 82.572 0.369 3.11 8 44.9 0.9
284 2 8 3 41.286 82.572 0.369 3.11 8 258.6 29.9
285 4 4 9 41.453 82.907 0.37 3.09 8 35.5 0.6
286 0 8 9 41.453 82.907 0.37 3.09 4 63.8 0.9
287 3 1 17 41.505 83.009 0.37 3.09 8 101.6 4.6
288 2 4 17 41.505 83.009 0.37 3.09 8 72.6 2.3
289 1 5 17 41.505 83.009 0.37 3.09 8 103.1 4.7
290 2 2 19 41.672 83.344 0.372 3.07 8 18.1 0.1
291 0 4 19 41.672 83.344 0.372 3.07 4 6.8 0.0
292 5 1 4 41.68 83.36 0.372 3.07 8 185.6 15.2
293 3 7 4 41.68 83.361 0.372 3.07 8 195.4 16.9
294 2 8 4 41.68 83.361 0.372 3.07 8 39.5 0.7
295 5 1 5 42.186 84.373 0.375 3.02 8 37.7 0.6
296 3 7 5 42.186 84.373 0.375 3.02 8 18.8 0.2
297 2 8 5 42.186 84.373 0.375 3.02 8 9.2 0.0
298 3 3 16 42.237 84.474 0.376 3.02 8 171.1 12.7
299 0 6 16 42.237 84.474 0.376 3.02 4 16.7 0.1
300 1 1 21 42.289 84.577 0.376 3.01 8 42.9 0.8
301 0 2 21 42.289 84.577 0.376 3.01 4 13.5 0.0
302 4 2 13 42.52 85.04 0.378 2.99 8 119.7 6.2
303 3 5 13 42.52 85.04 0.378 2.99 8 59.5 1.5
304 1 7 13 42.52 85.04 0.378 2.99 8 59.2 1.5
305 4 4 10 42.521 85.043 0.378 2.99 8 1253.4 677.3
306 0 8 10 42.522 85.043 0.378 2.99 4 1248.1 335.8
307 2 0 20 42.57 85.141 0.378 2.99 4 48.2 0.5
308 1 3 20 42.57 85.141 0.378 2.99 8 1.7 0.0
309 4 0 14 42.744 85.487 0.379 2.97 4 18.1 0.1
310 2 6 14 42.744 85.487 0.379 2.97 8 17.0 0.1
311 5 1 6 42.804 85.607 0.38 2.97 8 181.6 14.1
312 3 7 6 42.804 85.607 0.38 2.97 8 186.0 14.8
313 2 8 6 42.804 85.607 0.38 2.97 8 37.2 0.6
314 4 6 0 43.365 86.73 0.384 2.93 4 24.2 0.1
315 0 0 22 43.409 86.819 0.384 2.92 2 7.4 0.0
316 5 3 1 43.421 86.842 0.384 2.92 8 39.8 0.7
317 4 6 1 43.421 86.842 0.384 2.92 8 27.5 0.3
318 1 9 1 43.421 86.842 0.384 2.92 8 50.6 1.1
319 3 1 18 43.469 86.938 0.385 2.92 8 33.7 0.5
320 2 4 18 43.469 86.938 0.385 2.92 8 247.1 25.7
321 1 5 18 43.469 86.938 0.385 2.92 8 27.1 0.3
322 5 1 7 43.532 87.064 0.385 2.92 8 56.0 1.3
323 3 7 7 43.532 87.064 0.385 2.92 8 59.0 1.5
324 2 8 7 43.532 87.064 0.385 2.92 8 212.6 19.0
325 5 3 2 43.589 87.178 0.385 2.91 8 69.0 2.0
326 4 6 2 43.589 87.178 0.385 2.91 8 95.8 3.9
327 1 9 2 43.589 87.178 0.385 2.91 8 54.6 1.3
328 4 4 11 43.698 87.396 0.386 2.9 8 38.1 0.6
329 0 8 11 43.698 87.396 0.386 2.9 4 69.1 1.0
330 2 2 20 43.859 87.719 0.387 2.89 8 655.9 179.3
331 0 4 20 43.859 87.719 0.387 2.89 4 659.2 90.6
332 5 3 3 43.869 87.738 0.387 2.89 8 73.5 2.3
333 4 6 3 43.869 87.738 0.387 2.89 8 169.9 12.0
334 1 9 3 43.869 87.738 0.387 2.89 8 74.9 2.3
335 4 2 14 44.032 88.064 0.389 2.88 8 41.6 0.7
336 3 5 14 44.032 88.064 0.389 2.88 8 72.3 2.2
337 1 7 14 44.032 88.064 0.389 2.88 8 102.8 4.4
338 3 3 17 44.086 88.172 0.389 2.88 8 52.4 1.1
339 0 6 17 44.086 88.172 0.389 2.88 4 179.3 6.7
340 5 3 4 44.26 88.521 0.39 2.87 8 126.0 6.6
341 4 6 4 44.26 88.521 0.39 2.87 8 51.8 1.1
342 1 9 4 44.26 88.521 0.39 2.87 8 142.7 8.4
343 2 6 15 44.367 88.734 0.391 2.86 8 17.1 0.1
344 5 1 8 44.371 88.742 0.391 2.86 8 73.0 2.2
345 3 7 8 44.371 88.742 0.391 2.86 8 64.2 1.7
346 2 8 8 44.371 88.742 0.391 2.86 8 100.6 4.2
347 1 1 22 44.696 89.393 0.393 2.84 8 0.6 0.0
348 0 2 22 44.696 89.393 0.393 2.84 4 66.0 0.9
349 5 3 5 44.764 89.527 0.394 2.84 8 55.2 1.2
350 4 6 5 44.764 89.527 0.394 2.84 8 9.4 0.0
351 1 9 5 44.764 89.527 0.394 2.84 8 26.4 0.3
352 1 3 21 44.865 89.731 0.394 2.84 8 97.3 3.9
353 4 4 12 44.984 89.969 0.395 2.83 8 5.9 0.0
354 0 8 12 44.984 89.969 0.395 2.83 4 13.8 0.0
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 1 8.804 17.609 5.84388 160.3 3.2 3.3 5.6
2 0 2 2 9.343 18.686 5.50978 130.9 2.6 2.7 5.6
3 1 1 3 10.179 20.359 5.06121 88.4 1.7 1.8 5.6
4 0 2 8 16.94 33.88 3.06982 56.3 1.1 1.1 5.7
5 2 2 0 17.438 34.876 2.98475 2097.8 41.3 42.0 5.7
6 0 0 10 18.202 36.404 2.8635 193.3 3.8 3.9 5.7
7 2 2 5 19.751 39.502 2.64685 1988.5 39.2 39.7 5.7
8 2 0 8 21.117 42.235 2.48269 67.0 1.3 1.3 5.7
9 1 3 9 22.495 44.991 2.3378 55.9 1.1 1.1 5.7
10 1 5 3 24.039 48.078 2.19575 67.1 1.3 1.3 5.7
11 1 5 4 24.561 49.122 2.15191 67.6 1.3 1.3 5.7
12 0 4 10 25.65 51.3 2.06634 5077.3 100.0 100.0 5.8
13 1 5 6 26.009 52.017 2.03979 68.0 1.3 1.3 5.8
14 1 5 7 26.919 53.839 1.97567 59.8 1.2 1.2 5.8
15 2 6 0 31.269 62.538 1.72325 1996.7 39.3 38.7 5.8
16 2 2 15 33.793 67.585 1.6082 339.1 6.7 6.5 5.9
17 4 4 0 36.824 73.647 1.49238 188.6 3.7 3.6 6.0
18 2 6 10 37.286 74.573 1.4765 117.3 2.3 2.2 6.0
19 0 8 5 38.27 76.54 1.44415 258.3 5.1 4.9 6.0
20 0 0 20 38.663 77.325 1.43175 350.9 6.9 6.6 6.0
21 0 8 10 42.522 85.043 1.32343 1022.3 20.1 19.0 6.1
22 2 2 20 43.859 87.719 1.29091 286.5 5.6 5.3 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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