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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GERMANIUM
1
Ge
Cubic F d3m Z = 8
Fd3m
24 .5 .1993
Ref.Str.:
Wyckoff R.W.G. (1964)
* Crystal Structures, sec. ed., vol. 1, 26
R: ATOMIC. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.6574 alpha = 90.0
b = 5.6574 beta = 90.0
c = 5.6574 gamma = 90.0
Unit cell volume (cub. angs.) = 181.07
Molar volume ( cub.cm/mol.) = 13.63
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 Ge = 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 1 0.75 0.75 0.25
3 1 0.0 0.5 0.5
4 1 0.25 0.75 0.75
5 1 0.75 0.25 0.75
6 1 0.5 0.0 0.5
7 1 0.25 0.25 0.25
8 1 0.5 0.5 0.0
X-ray density (g/cm cub.) = 5.32
MU (1/cm) = 402.492 Mass attenuation coefficient (cm**2/g) = 75.6
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ge 3.336 4
2.4497 1
2.4497 1
2.4497 1
2.4497 1
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 13.64 27.281 0.153 33.12 8 148.3 17778.5
2 2 2 0 22.65 45.301 0.25 10.92 12 181.2 13128.7
3 1 1 3 26.845 53.69 0.293 7.42 24 120.1 7841.2
4 2 2 2 28.142 56.284 0.306 6.67 8 0.0 0.0
5 4 0 0 32.999 65.998 0.354 4.69 6 154.6 2048.3
6 3 3 1 36.405 72.81 0.385 3.84 24 103.8 3024.2
7 4 2 0 37.51 75.021 0.395 3.63 24 0.0 0.0
8 2 2 4 41.838 83.676 0.433 3.05 24 135.5 4101.6
9 1 1 5 45.031 90.061 0.459 2.83 24 91.6 1735.2
10 3 3 3 45.031 90.061 0.459 2.83 8 91.6 578.4
11 4 4 0 50.373 100.746 0.5 2.73 12 120.7 1457.2
12 5 3 1 53.659 107.319 0.523 2.83 48 82.0 2784.4
13 4 4 2 54.779 109.558 0.53 2.89 24 0.0 0.0
14 6 2 0 59.443 118.886 0.559 3.27 24 108.8 2833.5
15 3 3 5 63.231 126.463 0.58 3.77 24 74.2 1518.0
16 2 2 6 64.576 129.152 0.586 3.99 24 0.0 0.0
17 4 4 4 70.616 141.231 0.612 5.44 8 99.0 1302.6
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 13.64 27.281 3.26627 17778.5 100.0 100.0 5.6
2 2 2 0 22.65 45.301 2.00018 13128.7 73.8 72.6 5.7
3 1 1 3 26.845 53.69 1.70576 7841.2 44.1 42.9 5.8
4 4 0 0 32.999 65.998 1.41434 2048.3 11.5 11.0 5.9
5 3 3 1 36.405 72.81 1.29789 3024.2 17.0 16.1 6.0
6 2 2 4 41.838 83.676 1.1548 4101.6 23.1 21.3 6.1
7 1 1 5 45.031 90.061 1.08876 2313.6 13.0 11.8 6.2
8 4 4 0 50.373 100.746 1.00009 1457.2 8.2 7.2 6.4
9 5 3 1 53.659 107.319 0.95627 2784.4 15.7 13.3 6.6
10 6 2 0 59.443 118.886 0.89451 2833.5 15.9 12.7 7.0
11 3 3 5 63.231 126.463 0.86274 1518.0 8.5 6.4 7.4
12 4 4 4 70.616 141.231 0.81657 1302.6 7.3 4.7 8.8
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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