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
3
Au(2)Bi
Cubic F d3m Z = 8
Fd3m
12 .4 .17
Ref.Str.:
Palache Ch., Berman H., Frondel C. (1944)
* Dana's System of Mineralogy (7th edition), v.1, 95-96
R: Locality - Nuggety Reef, Maldon, Mount Alexander Shire, Victoria, Australia.
ATOMIC. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.971 alpha = 90.0
b = 7.971 beta = 90.0
c = 7.971 gamma = 90.0
Unit cell volume (cub. angs.) = 506.45
Molar volume ( cub.cm/mol.) = 38.13
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.) = 15.81
MU (1/cm) = 3463.695 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 5.112 16
3.4515 1
3.4515 1
3.3046 2
3.3046 2
3.3046 2
3.4515 1
3.3046 2
3.3046 2
3.3046 2
3.4515 1
3.3046 2
3.3046 2
3.3046 2
3.3046 2
3.3046 2
3.3046 2
2 Au 4.284 12
3.3046 1
3.3046 1
3.3046 1
3.3046 1
3.3046 1
3.3046 1
2.8182 2
2.8182 2
2.8182 2
2.8182 2
2.8182 2
2.8182 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 9.635 19.271 0.109 68.47 8 142.8 4354.9
2 2 2 0 15.862 31.725 0.177 23.98 12 538.6 32547.3
3 1 1 3 18.693 37.387 0.208 16.77 24 859.0 115761.9
4 2 2 2 19.558 39.115 0.217 15.17 8 972.9 44784.2
5 4 0 0 22.739 45.479 0.251 10.82 6 438.4 4865.9
6 3 3 1 24.912 49.824 0.273 8.8 24 113.1 1053.5
7 4 2 0 25.605 51.21 0.281 8.27 24 0.0 0.0
8 2 2 4 28.256 56.512 0.307 6.61 24 457.8 12959.4
9 1 1 5 30.141 60.282 0.326 5.71 24 736.3 28979.7
10 3 3 3 30.141 60.282 0.326 5.71 8 736.3 9659.9
11 4 4 0 33.138 66.275 0.355 4.64 12 1239.3 33365.8
12 5 3 1 34.869 69.738 0.371 4.18 48 96.9 733.9
13 4 4 2 35.437 70.875 0.376 4.04 24 0.0 0.0
14 6 2 0 37.675 75.349 0.397 3.6 24 408.7 5625.8
15 3 3 5 39.322 78.644 0.411 3.34 24 658.8 13581.4
16 2 2 6 39.867 79.734 0.416 3.27 24 745.5 17015.4
17 4 4 4 42.029 84.058 0.435 3.04 8 338.2 1082.9
18 1 1 7 43.639 87.278 0.448 2.91 24 86.7 204.7
19 5 5 1 43.639 87.278 0.448 2.91 24 86.7 204.7
20 6 4 0 44.175 88.349 0.452 2.87 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 9.635 19.271 4.60206 4354.9 3.8 3.8 5.6
2 2 2 0 15.862 31.725 2.81817 32547.3 28.1 28.3 5.6
3 1 1 3 18.693 37.387 2.40335 115761.9 100.0 100.0 5.7
4 2 2 2 19.558 39.115 2.30103 44784.2 38.7 38.6 5.7
5 4 0 0 22.739 45.479 1.99275 4865.9 4.2 4.2 5.7
6 2 2 4 28.256 56.512 1.62707 12959.4 11.2 11.0 5.8
7 1 1 5 30.141 60.282 1.53402 38639.6 33.4 32.5 5.8
8 4 4 0 33.138 66.275 1.40909 33365.8 28.8 27.8 5.9
9 6 2 0 37.675 75.349 1.26033 5625.8 4.9 4.6 6.0
10 3 3 5 39.322 78.644 1.21557 13581.4 11.7 11.0 6.0
11 2 2 6 39.867 79.734 1.20167 17015.4 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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