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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INSIZWAITE
1, g-pyrite
Pt[Bi(1.4)Sb(0.56)]
Cubic P a3 Z = 4
Pa3
7 .4 .1900
Ref.Str.:
Wyckoff R.W.G. (1963)
* Crystall Structures, 1, 346-348
Ref.Composition & Lattice:
Cabri L., Harris D. (1972)
* Miner. Mag., 38,794
Reserv:
The coordinates of atoms are considered to equel to those
of aurostibite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 6.625 alpha = 90.0
b = 6.625 beta = 90.0
c = 6.625 gamma = 90.0
Unit cell volume (cub. angs.) = 290.78
Molar volume ( cub.cm/mol.) = 43.79
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 0.0 Pt = 1.00
2 0.386 0.386 0.386 0.0 Bi = 0.7 , Sb = 0.3
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.0
2 2 0.386 0.386 0.386
3 2 0.614 0.614 0.614
4 1 0.5 0.0 0.5
5 2 0.114 0.614 0.886
6 2 0.886 0.386 0.114
7 1 0.5 0.5 0.0
8 2 0.114 0.886 0.386
9 2 0.886 0.114 0.614
10 1 0.0 0.5 0.5
11 2 0.386 0.114 0.886
12 2 0.614 0.886 0.114
X-ray density (g/cm cub.) = 12.8
MU (1/cm) = 4260.273 Mass attenuation coefficient (cm**2/g) = 332.726
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pt 3.324 6
2.7713 2
2.7713 2
2.7713 2
2.7713 2
2.7713 2
2.7713 2
2 Bi ,Sb 5.112 13
2.6163 2
4.0622 2
4.0622 2
3.7709 2
3.7709 2
3.7709 2
3.7709 2
4.0622 2
4.0622 2
3.7709 2
3.7709 2
4.0622 2
4.0622 2
X-ray diffraction powder data (II), X-Ray W.L. = 1.78892(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 1 13.524 27.048 0.131 33.73 8 58.3 1083.2
2 2 0 0 15.666 31.332 0.151 24.64 6 353.0 21779.7
3 2 1 0 17.572 35.143 0.169 19.2 12 331.9 30022.9
4 1 1 2 19.312 38.624 0.185 15.6 24 245.4 26678.4
5 2 2 0 22.45 44.9 0.213 11.14 12 269.9 11523.7
6 2 2 1 23.894 47.787 0.226 9.68 24 42.6 498.9
7 1 1 3 26.602 53.204 0.25 7.58 24 392.8 33187.6
8 2 2 2 27.885 55.77 0.261 6.81 8 247.0 3929.4
9 2 3 0 29.13 58.26 0.272 6.17 12 373.2 12191.5
10 1 2 3 30.343 60.686 0.282 5.63 24 157.9 3982.1
11 3 2 1 30.343 60.686 0.282 5.63 24 278.0 12346.7
12 4 0 0 32.687 65.374 0.302 4.78 6 183.5 1143.0
13 2 2 3 33.826 67.652 0.311 4.45 24 49.0 303.4
14 4 1 0 33.826 67.652 0.311 4.45 12 76.9 373.0
15 1 1 4 34.946 69.893 0.32 4.16 24 57.4 388.2
16 3 3 1 36.051 72.102 0.329 3.91 24 131.7 1924.5
17 2 4 0 37.142 74.284 0.338 3.69 12 168.8 1494.0
18 4 2 0 37.142 74.284 0.338 3.69 12 168.8 1494.0
19 1 2 4 38.222 76.443 0.346 3.51 24 10.2 10.3
20 4 2 1 38.222 76.443 0.346 3.51 24 257.3 6589.9
21 3 3 2 39.292 78.583 0.354 3.35 24 184.5 3236.5
22 2 2 4 41.409 82.817 0.37 3.1 24 208.0 3802.3
23 4 3 0 42.459 84.918 0.377 3.0 12 90.5 348.2
24 1 3 4 43.506 87.012 0.385 2.92 24 67.6 378.5
25 4 3 1 43.506 87.012 0.385 2.92 24 38.4 122.1
26 1 1 5 44.551 89.103 0.392 2.85 24 409.7 13586.8
27 3 3 3 44.551 89.103 0.392 2.85 8 273.0 2011.3
28 2 3 4 46.641 93.282 0.406 2.76 24 304.9 7292.6
29 2 5 0 46.641 93.282 0.406 2.76 12 161.1 1018.2
30 4 3 2 46.641 93.282 0.406 2.76 24 12.0 11.4
31 1 2 5 47.688 95.377 0.413 2.74 24 222.9 3865.2
32 5 2 1 47.688 95.377 0.413 2.74 24 120.5 1129.4
33 4 4 0 49.796 99.591 0.427 2.73 12 546.1 11555.0
34 2 2 5 50.859 101.717 0.434 2.74 24 21.5 35.9
35 4 4 1 50.859 101.717 0.434 2.74 24 63.8 316.4
36 3 3 4 51.93 103.859 0.44 2.77 24 45.8 165.0
37 1 3 5 53.011 106.021 0.446 2.8 24 60.9 295.0
38 5 3 1 53.011 106.021 0.446 2.8 24 60.9 295.0
39 4 4 2 54.103 108.207 0.453 2.85 24 241.3 4716.6
40 6 0 0 54.103 108.207 0.453 2.85 6 49.6 49.8
41 6 1 0 55.21 110.42 0.459 2.91 12 215.6 1923.4
42 1 1 6 56.333 112.666 0.465 2.99 24 161.5 2213.4
43 2 3 5 56.333 112.666 0.465 2.99 24 82.1 572.0
44 5 3 2 56.333 112.666 0.465 2.99 24 267.4 6069.8
45 2 6 0 58.638 117.276 0.477 3.19 12 170.4 1313.8
46 6 2 0 58.638 117.276 0.477 3.19 12 170.4 1313.8
47 1 2 6 59.826 119.652 0.483 3.31 24 28.9 78.5
48 4 4 3 59.826 119.652 0.483 3.31 24 76.7 553.7
49 4 5 0 59.826 119.652 0.483 3.31 12 40.5 77.3
50 6 2 1 59.826 119.652 0.483 3.31 24 91.4 786.0
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 13.524 27.048 3.82495 1083.2 3.3 3.4 5.6
2 2 0 0 15.666 31.332 3.3125 21779.7 65.6 67.2 5.6
3 2 1 0 17.572 35.143 2.96279 30022.9 90.5 92.3 5.7
4 1 1 2 19.312 38.624 2.70465 26678.4 80.4 81.7 5.7
5 2 2 0 22.45 44.9 2.34229 11523.7 34.7 35.1 5.7
6 2 2 1 23.894 47.787 2.20833 498.9 1.5 1.5 5.7
7 1 1 3 26.602 53.204 1.99751 33187.6 100.0 100.0 5.8
8 2 2 2 27.885 55.77 1.91247 3929.4 11.8 11.8 5.8
9 2 3 0 29.13 58.26 1.83744 12191.5 36.7 36.5 5.8
10 3 2 1 30.343 60.686 1.77061 16328.9 49.2 48.7 5.8
11 4 0 0 32.687 65.374 1.65625 1143.0 3.4 3.4 5.9
12 4 1 0 33.826 67.652 1.6068 676.4 2.0 2.0 5.9
13 1 1 4 34.946 69.893 1.56153 388.2 1.2 1.1 5.9
14 3 3 1 36.051 72.102 1.51988 1924.5 5.8 5.6 5.9
15 2 4 0 37.142 74.284 1.4814 2987.9 9.0 8.7 6.0
16 4 2 1 38.222 76.443 1.44569 6600.2 19.9 19.1 6.0
17 3 3 2 39.292 78.583 1.41245 3236.5 9.8 9.3 6.0
18 2 2 4 41.409 82.817 1.35232 3802.3 11.5 10.9 6.1
19 4 3 0 42.459 84.918 1.325 348.2 1.0 1.0 6.1
20 1 3 4 43.506 87.012 1.29927 500.6 1.5 1.4 6.1
21 1 1 5 44.551 89.103 1.27498 15598.1 47.0 43.9 6.2
22 2 3 4 46.641 93.282 1.23023 8322.2 25.1 23.1 6.3
23 1 2 5 47.688 95.377 1.20955 4994.7 15.0 13.8 6.3
24 4 4 0 49.796 99.591 1.17115 11555.0 34.8 31.4 6.4
25 4 4 1 50.859 101.717 1.15326 352.3 1.1 1.0 6.4
26 5 3 1 53.011 106.021 1.11983 590.0 1.8 1.6 6.6
27 4 4 2 54.103 108.207 1.10417 4766.4 14.4 12.5 6.6
28 6 1 0 55.21 110.42 1.08914 1923.4 5.8 5.0 6.7
29 5 3 2 56.333 112.666 1.07472 8855.2 26.7 22.7 6.8
30 2 6 0 58.638 117.276 1.0475 2627.6 7.9 6.6 7.0
31 6 2 1 59.826 119.652 1.03465 1495.5 4.5 3.7 7.1
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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