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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MALDONITE
2, syn
Au(2)Bi
Cubic F d3m Z = 8
Fd3m
1 .3 .13
Ref.Str.:
Jurriaanse T. (1935)
* Z. Kristallogr., 90, 322-329
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.942 alpha = 90.0
b = 7.942 beta = 90.0
c = 7.942 gamma = 90.0
Unit cell volume (cub. angs.) = 500.94
Molar volume ( cub.cm/mol.) = 37.72
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 0.625 0.625 0.625 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 0.625 0.625 0.625
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 0.125 0.375 0.875
7 2 0.375 0.875 0.125
8 2 0.875 0.125 0.375
9 1 0.75 0.25 0.75
10 1 0.5 0.0 0.5
11 2 0.125 0.875 0.375
12 2 0.875 0.375 0.125
13 2 0.375 0.125 0.875
14 1 0.25 0.25 0.25
15 1 0.5 0.5 0.0
16 2 0.375 0.375 0.625
17 2 0.375 0.625 0.375
18 2 0.125 0.625 0.125
19 2 0.875 0.625 0.875
20 2 0.125 0.125 0.625
21 2 0.625 0.375 0.375
22 2 0.625 0.125 0.125
23 2 0.625 0.875 0.875
24 2 0.875 0.875 0.625
X-ray density (g/cm cub.) = 15.98
MU (1/cm) = 3501.777 Mass attenuation coefficient (cm**2/g) = 219.092
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Bi 3.168 0
2 Au 3.456 6
2.8079 2
2.8079 2
2.8079 2
2.8079 2
2.8079 2
2.8079 2
X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):
No H K L Theta 2*Theta S LPG MF F I int.
( degree ) *100
1 1 1 1 9.671 19.342 0.109 67.95 8 142.8 4414.5
2 2 2 0 15.922 31.843 0.178 23.79 12 538.1 32946.2
3 1 1 3 18.764 37.528 0.209 16.63 24 858.2 117108.1
4 2 2 2 19.632 39.264 0.218 15.04 8 971.8 45294.2
5 4 0 0 22.827 45.654 0.252 10.73 6 437.8 4917.2
6 3 3 1 25.009 50.018 0.274 8.72 24 112.9 1063.8
7 4 2 0 25.705 51.411 0.282 8.19 24 0.0 0.0
8 2 2 4 28.369 56.737 0.308 6.55 24 457.2 13090.2
9 1 1 5 30.263 60.525 0.327 5.66 24 735.1 29264.1
10 3 3 3 30.263 60.525 0.327 5.66 8 735.1 9754.7
11 4 4 0 33.274 66.549 0.356 4.6 12 1237.2 33691.8
12 5 3 1 35.015 70.03 0.372 4.14 48 96.7 740.8
13 4 4 2 35.586 71.173 0.378 4.01 24 0.0 0.0
14 6 2 0 37.836 75.673 0.398 3.57 24 408.0 5685.3
15 3 3 5 39.494 78.987 0.413 3.32 24 657.6 13731.4
16 2 2 6 40.042 80.084 0.418 3.25 24 744.1 17206.1
17 4 4 4 42.218 84.436 0.436 3.02 8 337.5 1096.0
18 1 1 7 43.839 87.678 0.45 2.89 24 86.5 207.4
19 5 5 1 43.839 87.678 0.45 2.89 24 86.5 207.4
20 6 4 0 44.378 88.756 0.454 2.86 24 0.0 0.0
X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 9.671 19.342 4.58532 4414.5 3.8 3.8 5.6
2 2 2 0 15.922 31.843 2.80792 32946.2 28.1 28.3 5.6
3 1 1 3 18.764 37.528 2.3946 117108.1 100.0 100.0 5.7
4 2 2 2 19.632 39.264 2.29266 45294.2 38.7 38.6 5.7
5 4 0 0 22.827 45.654 1.9855 4917.2 4.2 4.2 5.7
6 2 2 4 28.369 56.737 1.62115 13090.2 11.2 10.9 5.8
7 1 1 5 30.263 60.525 1.52844 39018.8 33.3 32.4 5.8
8 4 4 0 33.274 66.549 1.40396 33691.8 28.8 27.7 5.9
9 6 2 0 37.836 75.673 1.25574 5685.3 4.9 4.6 6.0
10 3 3 5 39.494 78.987 1.21114 13731.4 11.7 11.0 6.0
11 2 2 6 40.042 80.084 1.1973 17206.1 14.7 13.8 6.0
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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