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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ALGODONITE
1
Cu(0.85)As(0.15)
Hexagonal P 6(3)/mmc Z = 2
P6(3)/mmc
22 .9 .1906
Ref.Str.:
B. J. Skinner, F. D. Luce (1971)
* Economic Geology, 66, 133
Reserv:
from Chile, Algodones silver mn, Coquimbo. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 2.6 alpha = 90.0
b = 2.6 beta = 90.0
c = 4.228 gamma = 120.0
Unit cell volume (cub. angs.) = 24.75
Molar volume ( cub.cm/mol.) = 7.45
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.3333 0.6667 0.25 0.0 Cu = 0.85, As = 0.15
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.3333 0.6667 0.25
2 1 0.6667 0.3333 0.75
X-ray density (g/cm cub.) = 8.75
MU (1/cm) = 508.972 Mass attenuation coefficient (cm**2/g) = 58.153
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu ,As 1.176 0
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 0 0 20.004 40.009 0.222 14.43 6 23.0 7506.2
2 0 0 2 21.369 42.738 0.237 12.45 2 45.4 8371.0
3 1 0 1 22.804 45.608 0.252 10.76 12 38.6 31458.7
4 1 0 2 29.986 59.973 0.324 5.78 12 20.4 4709.1
5 1 1 0 36.336 72.673 0.385 3.85 6 37.5 5310.8
6 1 0 3 40.15 80.3 0.419 3.24 12 30.9 6051.6
7 2 0 0 43.172 86.343 0.444 2.94 6 17.2 847.6
8 1 1 2 44.074 88.149 0.452 2.88 12 33.9 6475.8
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 0 0 20.004 40.009 2.25167 7506.2 23.9 24.0 5.7
2 0 0 2 21.369 42.738 2.114 8371.0 26.6 26.7 5.7
3 1 0 1 22.804 45.608 1.9874 31458.7 100.0 100.0 5.7
4 1 0 2 29.986 59.973 1.5412 4709.1 15.0 14.7 5.8
5 1 1 0 36.336 72.673 1.3 5310.8 16.9 16.2 6.0
6 1 0 3 40.15 80.3 1.19463 6051.6 19.2 18.2 6.0
7 2 0 0 43.172 86.343 1.12583 847.6 2.7 2.5 6.1
8 1 1 2 44.074 88.149 1.10737 6475.8 20.6 19.1 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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