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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FLORENSOVITE
2, syn, f-sulfospinelides, g-kalininite
CuCr(2)S(4)
Cubic F d3m Z = 8
Fd3m
5 .9 .1907
Ref.Str.:
Riedel E., Karl R., Rackwitz R. (1981)
* J. Solid State Chem., 40, 255-265
Reserv:
N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.81 alpha = 90.0
b = 9.81 beta = 90.0
c = 9.81 gamma = 90.0
Unit cell volume (cub. angs.) = 944.08
Molar volume ( cub.cm/mol.) = 71.08
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 Cu = 1.00
2 0.625 0.625 0.625 0.0 Cr = 1.00
3 0.383 0.383 0.383 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 0.625 0.625 0.625
3 3 0.383 0.383 0.383
4 1 0.75 0.75 0.25
5 1 0.0 0.5 0.5
6 1 0.25 0.75 0.75
7 2 0.125 0.375 0.875
8 2 0.375 0.875 0.125
9 2 0.875 0.125 0.375
10 3 0.367 0.133 0.633
11 3 0.617 0.117 0.883
12 3 0.633 0.367 0.133
13 1 0.75 0.25 0.75
14 1 0.5 0.0 0.5
15 2 0.125 0.875 0.375
16 2 0.875 0.375 0.125
17 2 0.375 0.125 0.875
18 3 0.367 0.633 0.133
19 3 0.117 0.617 0.883
20 3 0.133 0.367 0.633
21 1 0.25 0.25 0.25
22 1 0.5 0.5 0.0
23 2 0.375 0.375 0.625
24 2 0.375 0.625 0.375
25 2 0.125 0.625 0.125
26 2 0.875 0.625 0.875
27 2 0.125 0.125 0.625
28 2 0.625 0.375 0.375
29 2 0.625 0.125 0.125
30 2 0.625 0.875 0.875
31 2 0.875 0.875 0.625
32 3 0.617 0.617 0.383
33 3 0.133 0.867 0.133
34 3 0.883 0.383 0.883
35 3 0.633 0.867 0.633
36 3 0.883 0.883 0.383
37 3 0.867 0.133 0.133
38 3 0.383 0.883 0.883
39 3 0.867 0.633 0.633
40 3 0.117 0.117 0.383
41 3 0.383 0.617 0.617
42 3 0.617 0.383 0.617
43 3 0.133 0.633 0.367
44 3 0.867 0.367 0.367
45 3 0.117 0.383 0.117
46 3 0.883 0.617 0.117
47 3 0.367 0.367 0.867
48 3 0.633 0.633 0.867
49 3 0.617 0.883 0.117
50 3 0.383 0.117 0.117
51 3 0.367 0.867 0.367
52 3 0.633 0.133 0.367
53 3 0.867 0.867 0.867
54 3 0.133 0.133 0.867
55 3 0.883 0.117 0.617
56 3 0.117 0.883 0.617
X-ray density (g/cm cub.) = 4.16
MU (1/cm) = 875.607 Mass attenuation coefficient (cm**2/g) = 210.452
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Cu 3.36 4
2.2599 3
2.2599 3
2.2599 3
2.2599 3
2 Cr 3.18 6
2.3766 3
2.3766 3
2.3766 3
2.3766 3
2.3766 3
2.3766 3
3 S 4.368 12
3.4719 3
3.4719 3
3.4719 3
3.4719 3
3.2464 3
3.6903 3
3.2464 3
3.2464 3
3.4719 3
3.6903 3
3.6903 3
3.4719 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 1 1 9.087 18.173 0.088 77.26 8 54.7 207.7
2 2 2 0 14.945 29.89 0.144 27.26 12 217.1 1729.7
3 1 1 3 17.602 35.204 0.169 19.13 24 292.3 4401.9
4 2 2 2 18.412 36.824 0.177 17.33 8 65.6 67.0
5 4 0 0 21.39 42.78 0.204 12.42 6 433.2 1569.8
6 3 3 1 23.418 46.836 0.222 10.13 24 42.0 48.1
7 4 2 0 24.064 48.129 0.228 9.52 24 0.0 0.0
8 2 2 4 26.531 53.062 0.25 7.62 24 190.3 743.4
9 1 1 5 28.28 56.559 0.265 6.6 24 316.6 1780.5
10 3 3 3 28.28 56.559 0.265 6.6 8 194.9 224.8
11 4 4 0 31.05 62.1 0.288 5.35 12 714.4 3675.0
12 5 3 1 32.644 65.288 0.302 4.79 48 10.9 3.1
13 4 4 2 33.166 66.333 0.306 4.63 24 11.4 1.6
14 6 2 0 35.216 70.432 0.322 4.09 24 170.6 320.7
15 3 3 5 36.719 73.439 0.334 3.77 24 231.0 542.0
16 2 2 6 37.215 74.43 0.338 3.68 24 36.2 13.0
17 4 4 4 39.176 78.352 0.353 3.36 8 293.4 260.0
18 1 1 7 40.628 81.256 0.364 3.18 24 48.1 19.8
19 5 5 1 40.628 81.256 0.364 3.18 24 54.7 25.6
20 6 4 0 41.109 82.218 0.368 3.13 24 0.0 0.0
21 6 4 2 43.025 86.05 0.381 2.95 48 173.8 480.1
22 5 5 3 44.455 88.911 0.391 2.86 24 256.9 507.7
23 7 3 1 44.455 88.911 0.391 2.86 48 160.6 397.0
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 1 9.087 18.173 5.66381 207.7 4.7 4.8 5.6
2 2 2 0 14.945 29.89 3.46836 1729.7 39.3 39.5 5.6
3 1 1 3 17.602 35.204 2.95783 4401.9 100.0 100.0 5.7
4 2 2 2 18.412 36.824 2.8319 67.0 1.5 1.5 5.7
5 4 0 0 21.39 42.78 2.4525 1569.8 35.7 35.4 5.7
6 3 3 1 23.418 46.836 2.25057 48.1 1.1 1.1 5.7
7 2 2 4 26.531 53.062 2.00246 743.4 16.9 16.6 5.8
8 1 1 5 28.28 56.559 1.88794 2005.3 45.6 44.5 5.8
9 4 4 0 31.05 62.1 1.73418 3675.0 83.5 80.8 5.8
10 6 2 0 35.216 70.432 1.5511 320.7 7.3 7.0 5.9
11 3 3 5 36.719 73.439 1.49601 542.0 12.3 11.7 6.0
12 4 4 4 39.176 78.352 1.41595 260.0 5.9 5.6 6.0
13 5 5 1 40.628 81.256 1.37367 45.4 1.0 1.0 6.1
14 6 4 2 43.025 86.05 1.31092 480.1 10.9 10.1 6.1
15 5 5 3 44.455 88.911 1.27715 904.7 20.6 18.8 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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