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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LENAITE
1, t-chalcopyrite
AgFeS(2)
Tetragonal I 4(-)2d Z = 4
I4(-)2d
17 .4 .1900
Ref.Str.:
Amuzinsky et al. (1995)
* ZVMO, 124(5), 85
Reserv:
From Khachakchanskoe Ag-Pb deposit, Lena river, Yakutia, Russia. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.64 alpha = 90.0
b = 5.64 beta = 90.0
c = 10.34 gamma = 90.0
Unit cell volume (cub. angs.) = 328.91
Molar volume ( cub.cm/mol.) = 49.53
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 Ag = 1.00
2 0.0 0.0 0.5 0.0 Fe = 1.00
3 0.25 0.25 0.125 0.0 S = 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 0.0 0.0 0.5
3 3 0.25 0.25 0.125
4 3 0.25 0.75 0.875
5 3 0.75 0.75 0.125
6 3 0.75 0.25 0.875
7 1 0.5 0.5 0.5
8 2 0.5 0.5 0.0
9 3 0.25 0.25 0.625
10 3 0.25 0.75 0.375
11 3 0.75 0.75 0.625
12 3 0.75 0.25 0.375
13 1 0.0 0.5 0.25
14 2 0.0 0.5 0.75
15 1 0.5 0.0 0.75
16 2 0.5 0.0 0.25
X-ray density (g/cm cub.) = 4.6
MU (1/cm) = 934.588 Mass attenuation coefficient (cm**2/g) = 203.194
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ag 3.54 4
2.3763 3
2.3763 3
2.3763 3
2.3763 3
2 Fe 3.144 4
2.3763 3
2.3763 3
2.3763 3
2.3763 3
3 S 4.368 12
3.8255 3
3.8255 3
3.9881 3
3.9881 3
3.9881 3
3.9881 3
3.8255 3
3.8255 3
3.8255 3
3.8255 3
3.8255 3
3.8255 3
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 1 10.408 20.815 0.101 58.38 8 57.3 1418.2
2 1 1 0 12.961 25.921 0.125 36.9 4 0.0 0.0
3 1 1 2 16.455 32.91 0.158 22.16 8 267.5 11726.0
4 1 0 3 17.706 35.412 0.17 18.89 8 53.4 397.8
5 2 0 0 18.493 36.985 0.177 17.17 4 147.5 1380.6
6 0 0 4 20.244 40.488 0.193 14.05 2 145.0 546.2
7 2 0 2 21.18 42.36 0.202 12.7 8 0.0 0.0
8 2 1 1 21.409 42.818 0.204 12.4 16 50.9 475.7
9 2 1 3 26.068 52.136 0.246 7.94 16 47.9 269.4
10 2 2 0 26.652 53.303 0.251 7.55 4 293.2 2399.3
11 1 0 5 27.431 54.862 0.258 7.07 8 47.1 115.8
12 2 0 4 27.995 55.991 0.262 6.75 8 287.2 4116.0
13 3 0 1 28.919 57.839 0.27 6.27 8 46.2 99.0
14 3 1 0 30.1 60.2 0.28 5.73 8 0.0 0.0
15 3 1 2 32.04 64.081 0.297 4.99 16 210.8 3279.7
16 3 0 3 32.817 65.633 0.303 4.74 8 44.1 68.3
17 2 1 5 34.009 68.017 0.313 4.4 16 43.6 123.4
18 1 1 6 34.431 68.862 0.316 4.29 8 203.9 1316.9
19 2 2 4 34.508 69.015 0.317 4.27 8 120.7 459.9
20 3 2 1 35.332 70.665 0.323 4.07 16 43.0 111.0
21 2 0 6 37.465 74.93 0.34 3.64 8 0.0 0.0
22 3 1 4 37.539 75.078 0.341 3.62 16 0.0 0.0
23 1 0 7 38.752 77.505 0.35 3.43 8 41.5 43.7
24 3 2 3 38.899 77.798 0.351 3.4 16 41.5 86.6
25 4 0 0 39.373 78.746 0.355 3.34 4 245.7 745.0
26 3 0 5 40.015 80.031 0.359 3.25 8 41.1 40.6
27 4 0 2 41.112 82.225 0.368 3.13 8 0.0 0.0
28 4 1 1 41.269 82.537 0.369 3.11 16 40.6 75.9
29 3 3 0 42.287 84.575 0.376 3.01 4 0.0 0.0
30 0 0 8 43.792 87.583 0.387 2.9 2 233.7 292.5
31 3 3 2 44.006 88.012 0.388 2.88 8 181.0 698.5
32 2 1 7 44.566 89.132 0.392 2.85 16 39.6 66.0
33 4 1 3 44.709 89.418 0.393 2.84 16 39.5 65.7
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 1 10.408 20.815 4.95133 1418.2 12.1 12.2 5.6
2 1 1 2 16.455 32.91 3.15775 11726.0 100.0 100.0 5.6
3 1 0 3 17.706 35.412 2.94098 397.8 3.4 3.4 5.7
4 2 0 0 18.493 36.985 2.82 1380.6 11.8 11.7 5.7
5 0 0 4 20.244 40.488 2.585 546.2 4.7 4.6 5.7
6 2 1 1 21.409 42.818 2.45043 475.7 4.1 4.0 5.7
7 2 1 3 26.068 52.136 2.03547 269.4 2.3 2.3 5.8
8 2 2 0 26.652 53.303 1.99404 2399.3 20.5 20.0 5.8
9 2 0 4 27.995 55.991 1.90554 4116.0 35.1 34.2 5.8
10 3 1 2 32.04 64.081 1.68602 3279.7 28.0 26.9 5.9
11 2 1 5 34.009 68.017 1.5992 123.4 1.1 1.0 5.9
12 1 1 6 34.431 68.862 1.58195 1316.9 11.2 10.7 5.9
13 2 2 4 34.508 69.015 1.57888 459.9 3.9 3.7 5.9
14 4 0 0 39.373 78.746 1.41 745.0 6.4 6.0 6.0
15 0 0 8 43.792 87.583 1.2925 292.5 2.5 2.3 6.2
16 3 3 2 44.006 88.012 1.28748 698.5 6.0 5.5 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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