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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MALDONITE
1
Au(2)Bi
Cubic F d3m Z = 8
Fd3m
10 .2 .1905
Ref.Str.:
Author A.V. (1976)
* ZVMO, 105, 453
R: ATOMIC. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.958 alpha = 90.0
b = 7.958 beta = 90.0
c = 7.958 gamma = 90.0
Unit cell volume (cub. angs.) = 503.98
Molar volume ( cub.cm/mol.) = 37.95
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 Bi = 1.00
2 0.125 0.125 0.125 0.0 Au = 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 0.125 0.125 0.125
3 1 0.75 0.75 0.25
4 1 0.0 0.5 0.5
5 1 0.25 0.75 0.75
6 2 0.625 0.875 0.375
7 2 0.875 0.375 0.625
8 2 0.375 0.625 0.875
9 1 0.75 0.25 0.75
10 1 0.5 0.0 0.5
11 2 0.625 0.375 0.875
12 2 0.375 0.875 0.625
13 2 0.875 0.625 0.375
14 1 0.25 0.25 0.25
15 1 0.5 0.5 0.0
16 2 0.875 0.875 0.125
17 2 0.875 0.125 0.875
18 2 0.625 0.125 0.625
19 2 0.375 0.125 0.375
20 2 0.625 0.625 0.125
21 2 0.125 0.875 0.875
22 2 0.125 0.625 0.625
23 2 0.125 0.375 0.375
24 2 0.375 0.375 0.125
X-ray density (g/cm cub.) = 15.89
MU (1/cm) = 5040.15 Mass attenuation coefficient (cm**2/g) = 317.251
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 4.112 8
1.723 2
3.4459 1
3.4459 1
3.4459 1
3.4459 1
1.723 2
1.723 2
1.723 2
2 Au 4.284 8
1.723 1
1.723 1
2.8136 2
2.8136 2
2.8136 2
2.8136 2
2.8136 2
2.8136 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 11.226 22.452 0.109 49.88 8 1036.6 168794.5
2 2 2 0 18.536 37.073 0.178 17.08 12 576.1 26777.5
3 1 1 3 21.887 43.774 0.208 11.8 24 139.5 2170.7
4 2 2 2 22.914 45.829 0.218 10.64 8 1053.0 37152.1
5 4 0 0 26.717 53.435 0.251 7.5 6 481.0 4101.5
6 3 3 1 29.336 58.672 0.274 6.07 24 855.1 41946.2
7 4 2 0 30.176 60.352 0.281 5.7 24 0.0 0.0
8 2 2 4 33.41 66.821 0.308 4.56 24 495.1 10570.3
9 1 1 5 35.735 71.47 0.326 3.98 24 117.4 518.2
10 3 3 3 35.735 71.47 0.326 3.98 8 117.4 172.7
11 4 4 0 39.481 78.961 0.355 3.32 12 1356.3 28874.7
12 5 3 1 41.679 83.357 0.372 3.07 48 760.2 33514.5
13 4 4 2 42.406 84.813 0.377 3.0 24 0.0 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 11.226 22.452 4.59455 168794.5 100.0 100.0 5.6
2 2 2 0 18.536 37.073 2.81358 26777.5 15.9 15.7 5.7
3 1 1 3 21.887 43.774 2.39943 2170.7 1.3 1.3 5.7
4 2 2 2 22.914 45.829 2.29728 37152.1 22.0 21.6 5.7
5 4 0 0 26.717 53.435 1.9895 4101.5 2.4 2.4 5.8
6 3 3 1 29.336 58.672 1.82569 41946.2 24.9 23.9 5.8
7 2 2 4 33.41 66.821 1.62442 10570.3 6.3 6.0 5.9
8 4 4 0 39.481 78.961 1.40679 28874.7 17.1 15.9 6.0
9 5 3 1 41.679 83.357 1.34515 33514.5 19.9 18.3 6.1
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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