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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RAMBERGITE
1, t-wurtzite 2H
Fe(0.05)Mn(0.95)S
Hexagonal P 6(3)mc Z = 2
R =0.0128 NR =78
30 .1 .1902
Ref.Str.:
L. Eriksson, M.P. Kalinowski (2001)
* Acta Cryst., E57, i92-i93
Reserv:
An anti-wurtzite structure. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 3.982 alpha = 90.0
b = 3.982 beta = 90.0
c = 6.445 gamma = 120.0
Unit cell volume (cub. angs.) = 88.5
Molar volume ( cub.cm/mol.) = 26.65
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.6667 0.3333 0.0 0.02 Mn = 0.95, Fe = 0.05
2 0.6667 0.3333 0.6223 0.01 S = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.6667 0.3333 0.0
2 2 0.6667 0.3333 0.6223
3 1 0.3333 0.6667 0.5
4 2 0.3333 0.6667 0.1223
X-ray density (g/cm cub.) = 3.27
MU (1/cm) = 169.094 Mass attenuation coefficient (cm**2/g) = 51.786
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn ,Fe 3.276 4
2.434 2
2.4303 2
2.4309 2
2.4303 2
2 S 4.368 12
3.982 2
3.982 2
3.982 2
3.982 2
3.982 2
3.982 2
3.9584 2
3.9584 2
3.9588 2
3.9588 2
3.9584 2
3.9584 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 15.033 30.066 0.145 26.92 6 33.7 2343.0
2 0 0 2 16.115 32.23 0.155 23.18 2 48.8 1411.2
3 1 0 1 17.108 34.216 0.164 20.36 12 24.8 1916.8
4 1 0 2 22.327 44.654 0.212 11.28 12 21.8 823.7
5 1 1 0 26.696 53.391 0.251 7.52 6 54.5 1711.9
6 1 0 3 29.376 58.751 0.274 6.05 12 41.6 1604.9
7 2 0 0 31.249 62.497 0.29 5.27 6 25.3 259.4
8 1 1 2 31.876 63.752 0.295 5.05 12 37.3 1075.6
9 2 0 1 32.479 64.959 0.3 4.85 12 19.5 281.6
10 0 0 4 33.72 67.44 0.31 4.48 2 13.4 20.4
11 2 0 2 36.039 72.079 0.329 3.91 12 17.5 184.1
12 1 0 4 37.788 75.576 0.343 3.58 12 6.2 20.8
13 2 0 3 41.695 83.391 0.372 3.07 12 34.9 570.9
14 2 1 0 43.333 86.667 0.384 2.93 12 21.4 206.3
15 2 1 1 44.438 88.876 0.391 2.86 24 16.2 229.5
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 15.033 30.066 3.44851 2343.0 100.0 100.0 5.6
2 0 0 2 16.115 32.23 3.2225 1411.2 60.2 60.1 5.6
3 1 0 1 17.108 34.216 3.04061 1916.8 81.8 81.5 5.7
4 1 0 2 22.327 44.654 2.3545 823.7 35.2 34.7 5.7
5 1 1 0 26.696 53.391 1.991 1711.9 73.1 71.3 5.8
6 1 0 3 29.376 58.751 1.82344 1604.9 68.5 66.4 5.8
7 2 0 0 31.249 62.497 1.72426 259.4 11.1 10.7 5.8
8 1 1 2 31.876 63.752 1.69379 1075.6 45.9 44.1 5.9
9 2 0 1 32.479 64.959 1.66568 281.6 12.0 11.5 5.9
10 2 0 2 36.039 72.079 1.52031 184.1 7.9 7.4 5.9
11 2 0 3 41.695 83.391 1.34471 570.9 24.4 22.5 6.1
12 2 1 0 43.333 86.667 1.30342 206.3 8.8 8.1 6.1
13 2 1 1 44.438 88.876 1.27755 229.5 9.8 8.9 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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