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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COULSONITE

1, t-spinel, f-oxospinelides, sf-spinel, s-coulsonite

FeV(2)O(4)

Cubic F d3m Z = 8

Fd3m

14 .4 .1994

Ref.Str.:

T.Yamanaka, Y.Takeuchi, M.Tokonami (1984)

* Acta Cryst., B40, 96-102

Ref.Composition & Lattice:

Povarennih A.S. (1966)

* Kristallohim. klassif. miner. vidov

Reserv:

The coordinates of atoms are from spinel. N.A.D.

Initial data from BDM-file

Lattice parameters (cub. angs.,degr.):

a = 8.3 alpha = 90.0

b = 8.3 beta = 90.0
c = 8.3 gamma = 90.0

Unit cell volume (cub. angs.) = 571.79

Molar volume ( cub.cm/mol.) = 43.05

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 0.56 Fe = 1.00

2 0.625 0.625 0.625 0.61 V = 1.00
3 0.3873 0.3873 0.3873 0.85 O = 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 0.3873 0.3873 0.3873
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 0.3627 0.1373 0.6373
11 3 0.6127 0.1127 0.8873
12 3 0.6373 0.3627 0.1373
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 0.3627 0.6373 0.1373
19 3 0.1127 0.6127 0.8873
20 3 0.1373 0.3627 0.6373
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 0.6127 0.6127 0.3873
33 3 0.1373 0.8627 0.1373
34 3 0.8873 0.3873 0.8873
35 3 0.6373 0.8627 0.6373
36 3 0.8873 0.8873 0.3873
37 3 0.8627 0.1373 0.1373
38 3 0.3873 0.8873 0.8873
39 3 0.8627 0.6373 0.6373
40 3 0.1127 0.1127 0.3873
41 3 0.3873 0.6127 0.6127
42 3 0.6127 0.3873 0.6127
43 3 0.1373 0.6373 0.3627
44 3 0.8627 0.3627 0.3627
45 3 0.1127 0.3873 0.1127
46 3 0.8873 0.6127 0.1127
47 3 0.3627 0.3627 0.8627
48 3 0.6373 0.6373 0.8627
49 3 0.6127 0.8873 0.1127
50 3 0.3873 0.1127 0.1127
 51 3 0.3627 0.8627 0.3627
52 3 0.6373 0.1373 0.3627
53 3 0.8627 0.8627 0.8627
54 3 0.1373 0.1373 0.8627
55 3 0.8873 0.1127 0.6127
56 3 0.1127 0.8873 0.6127

X-ray density (g/cm cub.) = 5.15

MU (1/cm) = 967.928 Mass attenuation coefficient (cm**2/g) = 187.96

Selected interatomic distances (cation-anion,anion-anion):

NoP Atom Rad.sph. C.N. Distance NoP N.

(angs.) (angs.)

1 Fe 2.592 4
1.9738 3
1.9738 3
1.9738 3
1.9738 3
2 V 2.496 6
1.9782 3
1.9782 3
1.9782 3
1.9782 3
1.9782 3
1.9782 3
3 O 3.264 12
2.9416 3
2.9416 3
2.9416 3
2.9416 3
2.6457 3
3.2232 3
2.6457 3
2.6457 3
2.9416 3
3.2232 3
3.2232 3
2.9416 3

X-ray diffraction powder data (II), X-Ray W.L. = 1.54056(angs.):

No H K L Theta 2*Theta S LPG MF F I int.

( degree ) *100

1 1 1 1 9.25 18.5 0.104 74.48 8 38.0 263.8

2 2 2 0 15.218 30.436 0.17 26.22 12 161.9 2521.4
3 1 1 3 17.927 35.853 0.2 18.38 24 220.4 6557.2
4 2 2 2 18.753 37.506 0.209 16.65 8 77.9 247.4
5 4 0 0 21.791 43.582 0.241 11.92 6 240.2 1261.9
6 3 3 1 23.861 47.723 0.263 9.71 24 6.1 2.7
7 4 2 0 24.522 49.043 0.269 9.12 24 0.0 0.0
8 2 2 4 27.042 54.085 0.295 7.3 24 117.7 743.0
9 1 1 5 28.831 57.662 0.313 6.31 24 213.7 2117.1
 10 3 3 3 28.831 57.662 0.313 6.31 8 144.5 322.4
11 4 4 0 31.667 63.334 0.341 5.12 12 395.9 2946.0
12 5 3 1 33.301 66.602 0.356 4.59 48 29.9 60.4
13 4 4 2 33.837 67.674 0.361 4.44 24 9.0 2.6
14 6 2 0 35.941 71.882 0.381 3.93 24 91.7 242.9
15 3 3 5 37.486 74.971 0.395 3.63 24 150.5 603.6
16 2 2 6 37.995 75.991 0.4 3.54 24 93.9 229.2
17 4 4 4 40.014 80.027 0.417 3.25 8 141.9 160.4
18 1 1 7 41.511 83.021 0.43 3.09 24 2.6 0.1
19 5 5 1 41.511 83.021 0.43 3.09 24 47.1 50.3
20 6 4 0 42.007 84.015 0.434 3.04 24 0.0 0.0
21 6 4 2 43.986 87.973 0.451 2.89 48 87.1 321.3

X-ray diffraction powder data (I)...X-Ray wave length = 1.54056 (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 9.25 18.5 4.79201 263.8 4.0 4.1

5.6
2 2 2 0 15.218 30.436 2.93449 2521.4 38.5 38.6
5.6
3 1 1 3 17.927 35.853 2.50254 6557.2 100.0 100.0
5.7
4 2 2 2 18.753 37.506 2.396 247.4 3.8 3.8
5.7
5 4 0 0 21.791 43.582 2.075 1261.9 19.2 19.1
5.7
6 2 2 4 27.042 54.085 1.69423 743.0 11.3 11.1
5.8
7 1 1 5 28.831 57.662 1.59734 2439.4 37.2 36.3
5.8
8 4 4 0 31.667 63.334 1.46725 2946.0 44.9 43.4
5.9
9 6 2 0 35.941 71.882 1.31235 242.9 3.7 3.5
5.9
10 3 3 5 37.486 74.971 1.26574 603.6 9.2 8.7
6.0
11 2 2 6 37.995 75.991 1.25127 229.2 3.5 3.3
6.0
12 4 4 4 40.014 80.027 1.198 160.4 2.4 2.3
6.0
13 6 4 2 43.986 87.973 1.10913 321.3 4.9 4.5
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)