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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MAWSONITE
1, f-stannite, sf-stannoidite, g-mawsonite
Cu(6)Fe(2)S(8)Sn
Tetragonal P 4(-)m2 Z = 1
P4(-)m2
6 .4 .1988
Ref.Str.:
Szimanski J.T. (1976)
* Canad. Mineral., 14, 529-535
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 7.603 alpha = 90.0
b = 7.603 beta = 90.0
c = 5.358 gamma = 90.0
Unit cell volume (cub. angs.) = 309.72
Molar volume ( cub.cm/mol.) = 186.56
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 Sn = 1.00
2 0.5 0.0 0.0002 0.0 Cu = 1.00
3 0.2463 0.2463 0.5 0.0 Cu = 1.00
4 0.5 0.5 0.0 0.0 Fe = 1.00
5 0.5 0.5 0.5 0.0 Fe = 1.00
6 0.2615 0.0 0.2538 0.0 S = 1.00
7 0.2597 0.5 0.249 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 0.5 0.0 0.0002
3 3 0.2463 0.2463 0.5
4 4 0.5 0.5 0.0
5 5 0.5 0.5 0.5
6 6 0.2615 0.0 0.2538
7 7 0.2597 0.5 0.249
8 2 0.0 0.5 0.9998
9 3 0.2463 0.7537 0.5
10 3 0.7537 0.7537 0.5
11 3 0.7537 0.2463 0.5
12 6 0.0 0.7385 0.7462
13 6 0.7385 0.0 0.2538
14 6 0.0 0.2615 0.7462
15 7 0.5 0.7403 0.751
16 7 0.7403 0.5 0.249
17 7 0.5 0.2597 0.751
X-ray density (g/cm cub.) = 4.65
MU (1/cm) = 622.587 Mass attenuation coefficient (cm**2/g) = 133.806
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Sn 3.408 4
2.4088 6
2.4088 6
2.4088 6
2.4088 6
2 Cu 3.36 4
2.2659 6
2.2659 6
2.3836 7
2.3836 7
3 Cu 3.36 4
2.2935 6
2.3536 7
2.2935 6
2.3536 7
4 Fe 3.144 4
2.2623 7
2.2623 7
2.2623 7
2.2623 7
5 Fe 3.144 4
2.2686 7
2.2686 7
2.2686 7
2.2686 7
6 S 4.368 12
3.8016 7
3.8016 7
3.8557 6
3.9119 6
3.6266 6
3.9764 6
3.8557 6
3.9119 6
3.7794 7
3.8006 7
3.7794 7
3.8006 7
7 S 4.368 12
3.8016 6
3.8016 6
3.7794 6
3.8006 6
3.7794 6
3.8006 6
3.7297 7
3.7142 7
3.654 7
3.949 7
3.7297 7
3.7142 7
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 6.756 13.512 0.066 141.54 4 2.9 4.9
2 1 1 0 9.577 19.154 0.093 69.33 4 38.5 428.0
3 0 0 1 9.61 19.22 0.093 68.84 2 9.8 13.9
4 1 0 1 11.784 23.569 0.114 45.07 8 42.3 673.8
5 2 0 0 13.609 27.218 0.132 33.28 4 36.2 181.9
6 1 1 1 13.632 27.265 0.132 33.16 8 9.3 24.1
7 2 1 0 15.252 30.504 0.147 26.1 8 6.1 8.2
8 2 0 1 16.768 33.536 0.161 21.27 8 222.3 8766.0
9 2 1 1 18.153 36.307 0.174 17.88 16 45.1 606.8
10 2 2 0 19.436 38.872 0.186 15.38 4 144.8 1344.3
11 0 0 2 19.504 39.009 0.187 15.26 2 144.2 661.7
12 3 0 0 20.667 41.334 0.197 13.42 4 2.0 0.2
13 1 0 2 20.732 41.464 0.198 13.32 8 5.7 3.6
14 3 1 0 21.841 43.682 0.208 11.85 8 29.4 85.4
15 2 2 1 21.856 43.713 0.208 11.84 8 9.5 8.9
16 1 1 2 21.903 43.806 0.209 11.78 8 29.6 85.9
17 3 0 1 22.981 45.962 0.218 10.57 8 46.2 188.4
18 3 1 1 24.065 48.129 0.228 9.52 16 10.6 18.0
19 2 0 2 24.108 48.216 0.228 9.48 8 27.3 58.7
20 3 2 0 25.099 50.197 0.237 8.65 8 15.6 17.5
21 2 1 2 25.155 50.309 0.238 8.61 16 1.6 0.4
22 3 2 1 27.119 54.239 0.255 7.25 16 31.9 123.5
23 4 0 0 28.072 56.144 0.263 6.71 4 291.3 2373.1
24 2 2 2 28.124 56.248 0.263 6.68 8 292.0 4747.8
25 4 1 0 29.017 58.034 0.271 6.22 8 0.4 0.0
26 3 0 2 29.067 58.135 0.272 6.2 8 13.2 9.0
27 3 3 0 29.942 59.885 0.279 5.8 4 25.5 15.7
28 4 0 1 29.955 59.91 0.279 5.79 8 11.4 6.2
29 3 1 2 29.992 59.984 0.279 5.78 16 23.2 51.9
30 0 0 3 30.054 60.108 0.28 5.75 2 9.1 1.0
31 4 1 1 30.863 61.726 0.287 5.42 16 32.9 97.8
32 1 0 3 30.961 61.921 0.288 5.38 8 34.9 54.8
33 4 2 0 31.744 63.488 0.294 5.09 8 22.3 21.2
34 3 3 1 31.756 63.512 0.294 5.09 8 11.8 5.9
35 1 1 3 31.852 63.704 0.295 5.06 8 11.4 5.4
36 3 2 2 32.671 65.342 0.302 4.79 16 1.4 0.2
37 4 2 1 33.503 67.006 0.309 4.54 16 183.9 2558.7
38 2 0 3 33.596 67.192 0.309 4.51 8 184.5 1280.7
39 2 1 3 34.451 68.902 0.316 4.28 16 34.5 84.9
40 4 0 2 35.239 70.479 0.323 4.09 8 131.0 585.4
41 4 3 0 36.031 72.063 0.329 3.91 8 2.1 0.1
42 5 0 0 36.031 72.063 0.329 3.91 4 0.6 0.0
43 4 1 2 36.077 72.153 0.329 3.9 16 6.3 2.6
44 5 1 0 36.861 73.722 0.335 3.75 8 19.4 11.8
45 3 3 2 36.906 73.812 0.336 3.74 8 19.6 11.9
46 2 2 3 36.962 73.924 0.336 3.73 8 12.6 4.9
47 4 3 1 37.695 75.39 0.342 3.6 16 38.8 90.3
48 5 0 1 37.695 75.39 0.342 3.6 8 24.8 18.4
49 3 0 3 37.784 75.568 0.342 3.58 8 41.1 50.3
50 5 1 1 38.512 77.023 0.348 3.46 16 11.0 7.0
51 4 2 2 38.545 77.089 0.348 3.46 16 21.0 25.4
52 3 1 3 38.6 77.2 0.349 3.45 16 10.6 6.5
53 5 2 0 39.312 78.624 0.354 3.35 8 18.9 10.0
54 5 2 1 40.932 81.865 0.366 3.15 16 43.3 98.5
55 3 2 3 41.019 82.038 0.367 3.14 16 25.2 33.2
56 4 4 0 41.721 83.442 0.372 3.06 4 248.7 790.4
57 0 0 4 41.894 83.788 0.373 3.05 2 251.2 400.8
58 4 3 2 42.561 85.123 0.378 2.99 16 9.9 4.9
59 5 0 2 42.561 85.123 0.378 2.99 8 22.4 12.5
60 1 0 4 42.691 85.381 0.379 2.98 8 2.9 0.2
61 5 3 0 43.313 86.626 0.383 2.93 8 16.9 6.9
62 4 4 1 43.324 86.648 0.384 2.93 8 10.5 2.7
63 5 1 2 43.356 86.713 0.384 2.93 16 19.1 17.8
64 4 0 3 43.41 86.82 0.384 2.92 8 8.8 1.9
65 1 1 4 43.486 86.971 0.385 2.92 8 17.5 7.4
66 4 1 3 44.204 88.408 0.39 2.87 16 29.9 42.9
67 6 0 0 44.9 89.8 0.395 2.83 4 20.7 5.0
68 5 3 1 44.911 89.822 0.395 2.83 16 10.0 4.7
69 3 3 3 44.997 89.994 0.395 2.83 8 10.4 2.5
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 1 0 9.577 19.154 5.37613 428.0 4.9 4.9 5.6
2 1 0 1 11.784 23.569 4.37971 673.8 7.7 7.7 5.6
3 2 0 0 13.609 27.218 3.8015 206.0 2.4 2.4 5.6
4 2 0 1 16.768 33.536 3.10041 8766.0 100.0 100.0 5.7
5 2 1 1 18.153 36.307 2.87088 606.8 6.9 6.9 5.7
6 2 2 0 19.436 38.872 2.68807 1344.3 15.3 15.3 5.7
7 0 0 2 19.504 39.009 2.679 661.7 7.5 7.5 5.7
8 3 1 0 21.841 43.682 2.40428 94.3 1.1 1.1 5.7
9 3 0 1 22.981 45.962 2.29098 188.4 2.1 2.1 5.7
10 3 2 1 27.119 54.239 1.9622 123.5 1.4 1.4 5.8
11 4 0 0 28.072 56.144 1.90075 2373.1 27.1 26.4 5.8
12 2 2 2 28.124 56.248 1.89754 4747.8 54.2 52.8 5.8
13 4 1 1 30.863 61.726 1.74363 97.8 1.1 1.1 5.8
14 4 2 1 33.503 67.006 1.62047 2558.7 29.2 28.0 5.9
15 2 0 3 33.596 67.192 1.61649 1280.7 14.6 14.0 5.9
16 4 0 2 35.239 70.479 1.55021 585.4 6.7 6.4 5.9
17 4 3 1 37.695 75.39 1.46283 108.8 1.2 1.2 6.0
18 5 2 1 40.932 81.865 1.36524 98.5 1.1 1.0 6.1
19 4 4 0 41.721 83.442 1.34403 790.4 9.0 8.4 6.1
20 0 0 4 41.894 83.788 1.3395 400.8 4.6 4.2 6.1
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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