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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SCHAFARZIKITE
6, t-minium, Zn-analogue
ZnSb(2)O(4)
Tetragonal P 4(2)/mbc Z = 4
P4(2)/mbc
21 .9 .23
Ref.Str.:
Stahl S. (1943)
* Arkiv Kemi, Mineral. Geol., 17, 1-7
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.508 alpha = 90.0
b = 8.508 beta = 90.0
c = 5.913 gamma = 90.0
Unit cell volume (cub. angs.) = 428.02
Molar volume ( cub.cm/mol.) = 64.45
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.5 0.25 0.0 Zn = 1.00
2 0.175 0.166 0.0 0.0 Sb = 1.00
3 0.669 0.169 0.25 0.0 O = 1.00
4 0.114 0.614 0.0 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.5 0.25
2 2 0.175 0.166 0.0
3 3 0.669 0.169 0.25
4 4 0.114 0.614 0.0
5 1 0.5 0.0 0.75
6 2 0.834 0.175 0.5
7 2 0.825 0.834 0.0
8 2 0.166 0.825 0.5
9 3 0.831 0.669 0.75
10 3 0.331 0.831 0.25
11 3 0.169 0.331 0.75
12 4 0.386 0.114 0.5
13 4 0.886 0.386 0.0
14 4 0.614 0.886 0.5
15 1 0.5 0.0 0.25
16 2 0.325 0.666 0.0
17 3 0.831 0.669 0.25
18 4 0.386 0.114 0.0
19 1 0.0 0.5 0.75
20 2 0.666 0.675 0.5
21 2 0.675 0.334 0.0
22 2 0.334 0.325 0.5
23 3 0.669 0.169 0.75
24 3 0.169 0.331 0.25
25 3 0.331 0.831 0.75
26 4 0.114 0.614 0.5
27 4 0.614 0.886 0.0
28 4 0.886 0.386 0.5
X-ray density (g/cm cub.) = 5.78
MU (1/cm) = 1494.673 Mass attenuation coefficient (cm**2/g) = 258.391
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Zn 2.628 6
2.0166 4
2.0166 4
2.0334 3
2.0334 3
2.0166 4
2.0166 4
2 Sb 2.712 3
2.0392 3
1.8489 4
2.0392 3
3 O 3.264 8
2.8638 4
3.0004 4
2.8638 4
2.8638 4
2.9565 3
2.9565 3
2.8638 4
3.0004 4
4 O 3.264 9
2.8638 3
3.0004 3
2.8638 3
2.7433 4
2.8638 3
2.8638 3
3.0004 3
2.9565 4
2.9565 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 1 1 0 8.55 17.101 0.083 87.54 4 73.9 1043.2
2 2 0 0 12.138 24.276 0.118 42.36 4 111.8 1156.8
3 2 1 0 13.596 27.193 0.131 33.35 8 8.8 11.3
4 2 0 1 15.012 30.024 0.145 27.0 8 16.9 33.6
5 2 1 1 16.233 32.466 0.156 22.82 16 257.4 13205.2
6 2 2 0 17.299 34.598 0.166 19.87 4 216.3 2030.8
7 0 0 2 17.61 35.22 0.169 19.11 2 241.1 1213.2
8 3 1 0 19.418 38.836 0.186 15.41 8 216.1 3143.1
9 1 1 2 19.7 39.4 0.188 14.93 8 159.5 1658.9
10 3 1 1 21.423 42.846 0.204 12.38 16 7.1 5.4
11 2 0 2 21.619 43.238 0.206 12.13 8 242.4 3113.2
12 3 2 0 22.275 44.551 0.212 11.34 8 14.1 9.8
13 2 1 2 22.528 45.056 0.214 11.06 16 72.3 504.6
14 3 2 1 24.087 48.174 0.228 9.5 16 19.8 32.6
15 4 0 0 24.868 49.736 0.235 8.84 4 93.1 167.2
16 2 2 2 25.101 50.201 0.237 8.65 8 12.1 5.5
17 4 1 0 25.688 51.376 0.242 8.21 8 46.7 78.2
18 3 3 0 26.49 52.979 0.249 7.65 4 161.3 434.8
19 4 0 1 26.545 53.091 0.25 7.62 8 31.3 32.6
20 3 1 2 26.712 53.424 0.251 7.51 16 57.8 219.3
21 4 1 1 27.329 54.659 0.257 7.13 16 239.4 3566.6
22 4 2 0 28.045 56.09 0.263 6.72 8 159.9 750.8
23 3 2 2 29.012 58.024 0.271 6.22 16 6.8 2.5
24 4 2 1 29.597 59.194 0.276 5.95 16 22.0 25.2
25 2 0 3 30.01 60.02 0.28 5.77 8 13.9 4.9
26 2 1 3 30.736 61.472 0.286 5.47 16 213.5 2176.6
27 4 0 2 31.201 62.403 0.29 5.29 8 220.3 1121.5
28 4 3 0 31.713 63.425 0.294 5.11 8 27.2 16.5
29 4 1 2 31.911 63.823 0.295 5.04 16 11.7 6.1
30 5 1 0 32.416 64.833 0.3 4.87 8 12.0 3.0
31 3 3 2 32.613 65.226 0.301 4.8 8 385.2 3113.3
32 4 3 1 33.161 66.322 0.306 4.64 16 17.2 12.0
33 5 1 1 33.849 67.698 0.311 4.44 16 19.2 14.3
34 4 2 2 33.993 67.986 0.313 4.4 16 29.4 33.3
35 3 1 3 34.233 68.466 0.314 4.34 16 6.0 1.4
36 5 2 0 34.482 68.965 0.316 4.27 8 21.7 8.8
37 5 2 1 35.875 71.749 0.328 3.95 16 180.6 1123.7
38 3 2 3 36.249 72.498 0.331 3.87 16 17.1 9.9
39 4 4 0 36.492 72.985 0.332 3.82 4 154.8 199.7
40 0 0 4 37.235 74.469 0.338 3.68 2 404.2 655.8
41 4 3 2 37.337 74.674 0.339 3.66 16 27.3 23.9
42 5 3 0 37.808 75.616 0.343 3.58 8 233.0 848.1
43 5 1 2 37.992 75.984 0.344 3.55 16 180.7 1010.6
44 4 0 3 38.221 76.442 0.346 3.51 8 27.3 11.4
45 1 1 4 38.541 77.083 0.348 3.46 8 38.5 22.3
46 4 1 3 38.871 77.742 0.351 3.41 16 209.2 1302.2
47 6 0 0 39.108 78.217 0.353 3.37 4 348.9 896.6
48 5 3 1 39.154 78.308 0.353 3.37 16 30.4 27.2
49 6 1 0 39.754 79.508 0.357 3.29 8 56.3 45.5
50 2 0 4 39.835 79.669 0.358 3.28 8 76.5 83.8
51 5 2 2 39.935 79.87 0.359 3.26 16 18.4 9.6
52 6 0 1 40.442 80.883 0.363 3.2 8 6.3 0.6
53 2 1 4 40.477 80.954 0.363 3.2 16 7.4 1.5
54 4 2 3 40.802 81.604 0.365 3.16 16 19.4 10.4
55 6 1 1 41.082 82.164 0.367 3.13 16 31.5 27.1
56 6 2 0 41.675 83.351 0.372 3.07 8 77.1 79.6
57 4 4 2 41.855 83.71 0.373 3.05 8 13.6 2.5
58 5 4 0 42.312 84.625 0.376 3.01 8 50.9 34.1
59 2 2 4 42.392 84.784 0.377 3.0 8 153.8 310.3
60 6 2 1 42.992 85.985 0.381 2.95 16 15.0 5.8
61 5 3 2 43.126 86.253 0.382 2.94 16 104.0 278.3
62 5 4 1 43.627 87.254 0.386 2.91 16 180.7 829.6
63 3 1 4 43.662 87.323 0.386 2.91 16 168.3 719.0
64 4 3 3 43.983 87.967 0.388 2.89 16 15.3 5.9
65 6 0 2 44.394 88.788 0.391 2.86 8 137.7 236.8
66 5 1 3 44.617 89.234 0.393 2.85 16 17.1 7.3
67 6 3 0 44.849 89.699 0.394 2.84 8 18.6 4.3
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 1 0 8.55 17.101 6.01606 1043.2 7.9 8.0 5.6
2 2 0 0 12.138 24.276 4.254 1156.8 8.8 8.8 5.6
3 2 1 1 16.233 32.466 3.19969 13205.2 100.0 100.0 5.6
4 2 2 0 17.299 34.598 3.00803 2030.8 15.4 15.3 5.7
5 0 0 2 17.61 35.22 2.9565 1213.2 9.2 9.2 5.7
6 3 1 0 19.418 38.836 2.69047 3143.1 23.8 23.7 5.7
7 1 1 2 19.7 39.4 2.6534 1658.9 12.6 12.5 5.7
8 2 0 2 21.619 43.238 2.42776 3113.2 23.6 23.3 5.7
9 2 1 2 22.528 45.056 2.33457 504.6 3.8 3.8 5.7
10 4 0 0 24.868 49.736 2.127 167.2 1.3 1.2 5.7
11 3 3 0 26.49 52.979 2.00535 434.8 3.3 3.2 5.8
12 3 1 2 26.712 53.424 1.98987 219.3 1.7 1.6 5.8
13 4 1 1 27.329 54.659 1.94827 3566.6 27.0 26.4 5.8
14 4 2 0 28.045 56.09 1.90245 750.8 5.7 5.5 5.8
15 2 1 3 30.736 61.472 1.75012 2176.6 16.5 15.9 5.8
16 4 0 2 31.201 62.403 1.7266 1121.5 8.5 8.2 5.8
17 3 3 2 32.613 65.226 1.6596 3113.3 23.6 22.7 5.9
18 5 2 1 35.875 71.749 1.52635 1123.7 8.5 8.1 5.9
19 4 4 0 36.492 72.985 1.50402 199.7 1.5 1.4 6.0
20 0 0 4 37.235 74.469 1.47825 655.8 5.0 4.7 6.0
21 5 3 0 37.808 75.616 1.45911 848.1 6.4 6.1 6.0
22 5 1 2 37.992 75.984 1.45311 1010.6 7.7 7.2 6.0
23 4 1 3 38.871 77.742 1.42528 1302.2 9.9 9.3 6.0
24 6 0 0 39.108 78.217 1.418 896.6 6.8 6.4 6.0
25 2 2 4 42.392 84.784 1.3267 310.3 2.3 2.2 6.1
26 5 3 2 43.126 86.253 1.30844 278.3 2.1 1.9 6.1
27 5 4 1 43.627 87.254 1.2964 829.6 6.3 5.8 6.2
28 3 1 4 43.662 87.323 1.29557 719.0 5.4 5.0 6.2
29 6 0 2 44.394 88.788 1.27855 236.8 1.8 1.6 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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