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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HOCARTITE
3, t-stannite, f-stannite, sf-stannite, s-stannite
Ag(2)(Fe,Zn)SnS(4)
Tetragonal I 4(-)2m Z = 2
I4(-)2m
7 .2 .20
Ref.Str.:
R. Caye, Y. Laurent, P. Picot, R. Pierrot, C. Levy (1968)
* Bull. Soc. Mineral., 91, 383–38
L: $Ag1.65 Cu0.14 Fe0.67 Zn0.32 Sn1.04 S4.0$
R: Locality - Tacama, Bolivia.
The coordinates of atoms ar from stannine. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.74 alpha = 90.0
b = 5.74 beta = 90.0
c = 10.96 gamma = 90.0
Unit cell volume (cub. angs.) = 361.11
Molar volume ( cub.cm/mol.) = 108.75
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 Fe = 0.67, Zn = 0.32
2 0.0 0.0 0.5 0.0 Sn = 1.00
3 0.0 0.5 0.25 0.0 Ag = 0.83, Cu = 0.07
4 0.245 0.245 0.132 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 0.0 0.5 0.25
4 4 0.245 0.245 0.132
5 3 0.5 0.0 0.75
6 4 0.245 0.755 0.868
7 4 0.755 0.755 0.132
8 4 0.755 0.245 0.868
9 3 0.0 0.5 0.75
10 3 0.5 0.0 0.25
11 1 0.5 0.5 0.5
12 2 0.5 0.5 0.0
13 4 0.255 0.255 0.632
14 4 0.255 0.745 0.368
15 4 0.745 0.745 0.632
16 4 0.745 0.255 0.368
X-ray density (g/cm cub.) = 4.53
MU (1/cm) = 1120.675 Mass attenuation coefficient (cm**2/g) = 247.132
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Fe ,Zn 3.18 4
2.4593 4
2.4593 4
2.4593 4
2.4593 4
2 Sn 3.408 4
2.5254 4
2.5254 4
2.5254 4
2.5254 4
3 Ag ,Cu 3.54 4
2.4068 4
2.4068 4
2.4068 4
2.4068 4
4 S 4.368 12
4.116 4
4.0352 4
4.14 4
4.0596 4
4.0596 4
3.9776 4
4.116 4
4.0352 4
3.864 4
3.864 4
3.864 4
3.864 4
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 0 0 2 9.394 18.788 0.091 72.14 2 21.4 50.6
2 1 0 1 10.131 20.263 0.098 61.72 8 40.8 629.4
3 1 1 0 12.731 25.462 0.123 38.32 4 11.4 15.4
4 1 1 2 15.917 31.833 0.153 23.81 8 292.7 12510.8
5 1 0 3 16.871 33.742 0.162 20.99 8 42.5 232.4
6 2 0 0 18.159 36.318 0.174 17.87 4 172.5 1630.3
7 0 0 4 19.053 38.106 0.182 16.07 2 172.4 732.4
8 2 0 2 20.598 41.197 0.197 13.52 8 3.0 0.7
9 2 1 1 20.97 41.939 0.2 12.99 16 40.3 258.9
10 1 1 4 23.195 46.391 0.22 10.35 8 18.1 20.8
11 2 1 3 25.205 50.41 0.238 8.57 16 34.6 125.7
12 1 0 5 25.9 51.8 0.244 8.05 8 37.5 69.6
13 2 2 0 26.152 52.304 0.246 7.88 4 318.6 2453.2
14 2 0 4 26.829 53.658 0.252 7.43 8 314.3 4506.0
15 2 2 2 28.035 56.069 0.263 6.73 8 16.2 10.8
16 3 0 1 28.331 56.661 0.265 6.57 8 40.2 65.0
17 0 0 6 29.319 58.638 0.274 6.08 2 10.6 1.0
18 3 1 0 29.523 59.046 0.275 5.98 8 9.4 3.2
19 3 1 2 31.272 62.544 0.29 5.26 16 234.4 3550.4
20 3 0 3 31.852 63.703 0.295 5.06 8 28.6 25.4
21 2 1 5 32.452 64.903 0.3 4.86 16 32.9 64.4
22 1 1 6 32.478 64.956 0.3 4.85 8 230.1 1574.7
23 2 2 4 33.263 66.525 0.307 4.61 8 146.9 609.8
24 3 2 1 34.593 69.186 0.317 4.24 16 28.9 43.6
25 2 0 6 35.481 70.962 0.324 4.03 8 26.5 17.4
26 3 1 4 36.235 72.47 0.33 3.87 16 14.5 10.0
27 1 0 7 36.31 72.62 0.331 3.85 8 30.8 22.4
28 3 2 3 37.798 75.596 0.343 3.58 16 37.4 61.4
29 3 0 5 38.355 76.709 0.347 3.49 8 28.7 17.7
30 4 0 0 38.559 77.118 0.348 3.46 4 269.7 770.7
31 4 0 2 40.116 80.231 0.36 3.24 8 13.9 3.8
32 4 1 1 40.366 80.731 0.362 3.21 16 30.8 37.4
33 0 0 8 40.76 81.52 0.365 3.16 2 259.5 326.8
34 2 2 6 41.21 82.419 0.368 3.12 8 8.9 1.5
35 3 3 0 41.386 82.772 0.37 3.1 4 7.5 0.5
36 2 1 7 42.002 84.004 0.374 3.04 16 33.0 40.7
37 3 3 2 42.92 85.84 0.381 2.96 8 203.2 749.9
38 4 1 3 43.438 86.876 0.384 2.92 16 32.8 38.6
39 1 1 8 43.557 87.115 0.385 2.91 8 23.4 9.8
40 3 2 5 43.979 87.958 0.388 2.89 16 34.1 41.2
41 3 1 6 44.003 88.006 0.388 2.88 16 200.3 1420.2
42 4 2 0 44.178 88.356 0.39 2.87 8 127.4 286.2
43 4 0 4 44.719 89.437 0.393 2.84 8 127.4 283.3
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 10.131 20.263 5.08485 629.4 5.0 5.1 5.6
2 1 1 2 15.917 31.833 3.2616 12510.8 100.0 100.0 5.6
3 1 0 3 16.871 33.742 3.08203 232.4 1.9 1.9 5.7
4 2 0 0 18.159 36.318 2.87 1630.3 13.0 13.0 5.7
5 0 0 4 19.053 38.106 2.74 732.4 5.9 5.8 5.7
6 2 1 1 20.97 41.939 2.49937 258.9 2.1 2.0 5.7
7 2 1 3 25.205 50.41 2.10036 125.7 1.0 1.0 5.8
8 2 2 0 26.152 52.304 2.0294 2453.2 19.6 19.2 5.8
9 2 0 4 26.829 53.658 1.98184 4506.0 36.0 35.2 5.8
10 3 1 2 31.272 62.544 1.72308 3550.4 28.4 27.4 5.8
11 1 1 6 32.478 64.956 1.66574 1639.1 13.1 12.6 5.9
12 2 2 4 33.263 66.525 1.6308 609.8 4.9 4.7 5.9
13 4 0 0 38.559 77.118 1.435 770.7 6.2 5.8 6.0
14 0 0 8 40.76 81.52 1.37 326.8 2.6 2.4 6.1
15 3 3 2 42.92 85.84 1.31349 749.9 6.0 5.5 6.1
16 3 1 6 44.003 88.006 1.28756 1461.4 11.7 10.7 6.2
17 4 2 0 44.178 88.356 1.2835 286.2 2.3 2.1 6.2
18 4 0 4 44.719 89.437 1.27121 283.3 2.3 2.1 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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