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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STUMPFLITE
1, g-sudburyite
PtSb
Hexagonal P 6(3)/mmc Z = 2
P6(3)/mmc
29 .4 .1992
Ref.Str.:
Wyckoff R.W.G. (1964)
* Crystal Structures, 1, 123
-124
R: ATOMIC.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 4.13 alpha = 90.0
b = 4.13 beta = 90.0
c = 5.472 gamma = 120.0
Unit cell volume (cub. angs.) = 80.83
Molar volume ( cub.cm/mol.) = 24.34
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 0.3333 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.) = 13.01
MU (1/cm) = 4287.061 Mass attenuation coefficient (cm**2/g) = 329.426
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Pt 3.152 8
2.749 2
2.749 2
2.749 2
2.736 1
2.736 1
2.749 2
2.749 2
2.749 2
2 Sb 4.0992 12
2.749 1
2.749 1
2.749 1
2.749 1
2.749 1
2.749 1
3.6292 2
3.6292 2
3.6293 2
3.6293 2
3.6292 2
3.6292 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 0 0 14.482 28.965 0.14 29.16 6 97.6 25515.6
2 1 0 1 17.383 34.767 0.167 19.66 12 74.4 20008.8
3 0 0 2 19.082 38.164 0.183 16.02 2 51.4 1294.0
4 1 0 2 24.306 48.611 0.23 9.31 12 166.9 47647.7
5 1 1 0 25.668 51.336 0.242 8.22 6 202.9 31090.0
6 2 0 0 30.011 60.021 0.28 5.77 6 83.7 3707.3
7 2 0 1 31.749 63.497 0.294 5.09 12 61.9 3588.4
8 1 1 2 32.866 65.732 0.303 4.73 12 46.1 1846.9
9 1 0 3 33.399 66.798 0.308 4.57 12 60.7 3095.0
10 2 0 2 36.693 73.386 0.334 3.78 12 146.2 14833.2
11 0 0 4 40.832 81.664 0.365 3.16 2 172.8 2885.0
12 2 1 0 41.426 82.852 0.37 3.09 12 75.6 3243.5
13 2 1 1 42.964 85.929 0.381 2.96 24 54.7 3251.4
14 1 0 4 44.43 88.86 0.391 2.86 12 73.8 2858.6
15 2 0 3 44.464 88.927 0.392 2.86 12 53.9 1524.2
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 14.482 28.965 3.57668 25515.6 53.6 54.6 5.6
2 1 0 1 17.383 34.767 2.99387 20008.8 42.0 42.6 5.7
3 0 0 2 19.082 38.164 2.736 1294.0 2.7 2.7 5.7
4 1 0 2 24.306 48.611 2.1731 47647.7 100.0 100.0 5.7
5 1 1 0 25.668 51.336 2.065 31090.0 65.2 65.0 5.8
6 2 0 0 30.011 60.021 1.78834 3707.3 7.8 7.7 5.8
7 2 0 1 31.749 63.497 1.69986 3588.4 7.5 7.4 5.9
8 1 1 2 32.866 65.732 1.64823 1846.9 3.9 3.8 5.9
9 1 0 3 33.399 66.798 1.6249 3095.0 6.5 6.3 5.9
10 2 0 2 36.693 73.386 1.49693 14833.2 31.1 30.0 6.0
11 0 0 4 40.832 81.664 1.368 2885.0 6.1 5.7 6.1
12 2 1 0 41.426 82.852 1.35186 3243.5 6.8 6.4 6.1
13 2 1 1 42.964 85.929 1.3124 3251.4 6.8 6.4 6.1
14 1 0 4 44.43 88.86 1.27773 2858.6 6.0 5.6 6.2
15 2 0 3 44.464 88.927 1.27697 1524.2 3.2 3.0 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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