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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SUDBURYITE
1, g-sudburyite
PdSb
Hexagonal P 6(3)/mmc Z = 2
P6(3)/mmc
16 .8 .1999
Ref.Str.:
Wyckoff R.W.G. (1964)
* Crystal Structures, 1, 123-124
L: Cabri, laflamme (1997)
* Canad. Mineral., 12, 275
R: ATOMIC. The coordinates of atoms are considered to equel
to those of breithauptite. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.06 alpha = 90.0
b = 4.06 beta = 90.0
c = 5.59 gamma = 120.0
Unit cell volume (cub. angs.) = 79.8
Molar volume ( cub.cm/mol.) = 24.03
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 Pd = 1.00
2 0.3333 0.6667 0.25 0.0 Sb = 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 0.3333 0.6667 0.25
3 1 0.0 0.0 0.5
4 2 0.6667 0.3333 0.75
X-ray density (g/cm cub.) = 9.49
MU (1/cm) = 3326.299 Mass attenuation coefficient (cm**2/g) = 350.427
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pd 2.814 8
2.7291 2
2.7288 2
2.7291 2
2.795 1
2.795 1
2.7291 2
2.7288 2
2.7291 2
2 Sb 2.8 6
2.7291 1
2.7288 1
2.7291 1
2.7291 1
2.7288 1
2.7291 1
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 0 14.738 29.475 0.142 28.09 6 37.1 3644.8
2 1 0 1 17.49 34.979 0.168 19.4 12 74.3 20204.9
3 0 0 2 18.664 37.328 0.179 16.82 2 7.3 28.1
4 1 0 2 24.13 48.261 0.229 9.46 12 110.4 21726.6
5 1 1 0 26.143 52.287 0.246 7.88 6 145.6 15749.9
6 2 0 0 30.583 61.166 0.284 5.53 6 28.4 420.6
7 2 0 1 32.232 64.465 0.298 4.93 12 61.6 3520.5
8 1 0 3 32.907 65.814 0.304 4.71 12 61.1 3316.2
9 1 1 2 32.996 65.991 0.304 4.69 12 7.9 55.0
10 2 0 2 36.946 73.892 0.336 3.73 12 93.2 6101.2
11 0 0 4 39.795 79.59 0.358 3.28 2 122.8 1552.8
12 2 1 0 42.304 84.607 0.376 3.01 12 24.1 328.7
13 1 0 4 43.531 87.062 0.385 2.92 12 23.7 309.5
14 2 1 1 43.774 87.548 0.387 2.9 24 54.3 3218.6
15 2 0 3 44.386 88.773 0.391 2.86 12 53.9 1568.0
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 0 0 14.738 29.475 3.51606 3644.8 16.8 17.1 5.6
2 1 0 1 17.49 34.979 2.97626 20204.9 93.0 94.3 5.7
3 1 0 2 24.13 48.261 2.18794 21726.6 100.0 100.0 5.7
4 1 1 0 26.143 52.287 2.03 15749.9 72.5 72.1 5.8
5 2 0 0 30.583 61.166 1.75803 420.6 1.9 1.9 5.8
6 2 0 1 32.232 64.465 1.67705 3520.5 16.2 15.8 5.9
7 1 0 3 32.907 65.814 1.64643 3316.2 15.3 14.9 5.9
8 2 0 2 36.946 73.892 1.48813 6101.2 28.1 27.0 6.0
9 0 0 4 39.795 79.59 1.3975 1552.8 7.1 6.8 6.0
10 2 1 0 42.304 84.607 1.32895 328.7 1.5 1.4 6.1
11 1 0 4 43.531 87.062 1.29868 309.5 1.4 1.3 6.1
12 2 1 1 43.774 87.548 1.29291 3218.6 14.8 13.8 6.2
13 2 0 3 44.386 88.773 1.27872 1568.0 7.2 6.7 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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