Institute of Experimental Mineralogy
Russian Academy of Sciences
-------------------------------------------------
142432, Chernogolovka, Moscow district
A.V. Chichagov +7(496)52-22320
***
*** W W W - X R A Y P O L ***
***********************
HAUSMANNITE
4, td-spinel, syn, f-oxospinelides, sf-spinel, g-hausmannite
Mn(Mn,Fe)(2)O(4)
Tetragonal * I4(1)/amd Z = 4
*I4(1)/amd
17 .3 .15
Ref.Str.:
Baron V., Gutzmer J., Rundlof H., Tellgren R. (1998)
* Amer. Mineral., 83, 786-793
L: $Mn2+0.943 Fe2+0.057 Mn3+1.76 Fe3+0.24 O4$
R: N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 5.7843 alpha = 90.0
b = 5.7843 beta = 90.0
c = 9.297 gamma = 90.0
Unit cell volume (cub. angs.) = 311.06
Molar volume ( cub.cm/mol.) = 46.84
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.75 0.125 0.0 Mn = 0.94, Fe = 0.06
2 0.0 0.0 0.5 0.0 Mn = 0.88, Fe = 0.12
3 0.0 0.4732 0.2597 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.75 0.125
2 2 0.0 0.0 0.5
3 3 0.0 0.4732 0.2597
4 1 0.0 0.25 0.875
5 3 0.0 0.5268 0.7403
6 1 0.5 0.75 0.375
7 2 0.5 0.0 0.0
8 3 0.5 0.4732 0.2403
9 1 0.5 0.25 0.625
10 3 0.5 0.5268 0.7597
11 2 0.0 0.5 0.5
12 3 0.0 0.9732 0.7403
13 3 0.0 0.0268 0.2597
14 2 0.5 0.5 0.0
15 3 0.5 0.9732 0.7597
16 3 0.5 0.0268 0.2403
17 2 0.75 0.25 0.25
18 2 0.75 0.75 0.75
19 3 0.2768 0.25 0.0097
20 3 0.2232 0.75 0.5097
21 3 0.2232 0.25 0.4903
22 3 0.2768 0.75 0.9903
23 2 0.25 0.25 0.25
24 2 0.25 0.75 0.75
25 3 0.7768 0.25 0.4903
26 3 0.7232 0.75 0.9903
27 3 0.7232 0.25 0.0097
28 3 0.7768 0.75 0.5097
X-ray density (g/cm cub.) = 4.89
MU (1/cm) = 1028.177 Mass attenuation coefficient (cm**2/g) = 210.26
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn ,Fe 2.724 4
2.0327 3
2.0327 3
2.0327 3
2.0327 3
2 Mn ,Fe 2.724 6
2.2394 3
2.2394 3
1.9406 3
1.9406 3
1.9406 3
1.9406 3
3 O 3.264 10
2.8978 3
2.8978 3
3.2022 3
2.5821 3
3.1036 3
3.1036 3
2.816 3
2.816 3
3.1036 3
3.1036 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 0 1 9.023 18.047 0.102 78.38 8 39.2 998.0
2 1 1 2 14.528 29.056 0.163 28.96 8 81.4 1584.9
3 2 0 0 15.446 30.893 0.173 25.4 4 80.6 682.8
4 1 0 3 16.379 32.757 0.183 22.38 8 129.9 3120.8
5 2 1 1 18.004 36.008 0.201 18.21 16 121.6 4455.0
6 2 0 2 18.281 36.562 0.204 17.61 8 61.0 541.9
7 0 0 4 19.354 38.709 0.215 15.53 2 156.5 786.2
8 2 2 0 22.127 44.253 0.244 11.51 4 143.2 976.0
9 2 1 3 22.822 45.645 0.252 10.74 16 6.8 8.3
10 3 0 1 24.079 48.159 0.265 9.51 8 3.7 1.1
11 2 0 4 25.161 50.322 0.276 8.6 8 62.4 277.0
12 1 0 5 25.794 51.588 0.282 8.13 8 124.7 1044.9
13 3 1 2 26.907 53.814 0.294 7.38 16 60.9 452.2
14 3 0 3 28.068 56.135 0.305 6.71 8 82.4 376.3
15 3 2 1 29.159 58.318 0.316 6.15 16 118.6 1430.7
16 2 2 4 30.112 60.225 0.326 5.73 8 231.2 2529.4
17 2 1 5 30.676 61.351 0.331 5.49 16 20.7 38.9
18 1 1 6 32.113 64.226 0.345 4.97 8 52.7 114.0
19 4 0 0 32.186 64.372 0.346 4.94 4 219.4 984.1
20 3 1 4 32.404 64.807 0.348 4.87 16 4.5 1.6
21 3 2 3 32.729 65.458 0.351 4.77 16 24.9 48.9
22 4 1 1 33.73 67.46 0.36 4.47 16 21.9 35.5
23 4 0 2 33.907 67.814 0.362 4.42 8 5.9 1.3
24 2 0 6 34.331 68.661 0.366 4.31 8 58.8 123.3
25 3 0 5 35.136 70.271 0.374 4.11 8 86.3 253.4
26 3 3 2 36.07 72.141 0.382 3.9 8 49.1 77.8
27 1 0 7 36.517 73.034 0.386 3.81 8 8.6 2.3
28 4 2 0 36.551 73.103 0.387 3.81 8 47.6 71.2
29 4 1 3 37.064 74.127 0.391 3.71 16 88.1 475.4
30 4 2 2 38.182 76.365 0.401 3.51 16 58.8 200.7
31 4 0 4 38.855 77.71 0.407 3.41 8 91.2 234.5
32 3 2 5 39.357 78.714 0.412 3.34 16 32.1 56.9
33 3 1 6 40.655 81.31 0.423 3.18 16 50.7 135.2
34 2 1 7 40.688 81.377 0.423 3.17 16 69.7 254.8
35 0 0 8 41.515 83.031 0.43 3.08 2 182.3 211.9
36 4 3 1 42.142 84.284 0.436 3.03 16 4.1 0.8
37 5 0 1 42.142 84.284 0.436 3.03 8 31.7 25.2
38 4 2 4 42.964 85.929 0.442 2.96 16 49.8 121.3
39 4 1 5 43.457 86.914 0.446 2.92 16 87.1 366.3
40 5 1 2 44.343 88.686 0.454 2.86 16 47.7 107.9
41 3 0 7 44.769 89.538 0.457 2.84 8 4.8 0.5
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 0 1 9.023 18.047 4.91132 998.0 22.4 22.7 5.6
2 1 1 2 14.528 29.056 3.07069 1584.9 35.6 35.8 5.6
3 2 0 0 15.446 30.893 2.89215 682.8 15.3 15.4 5.6
4 1 0 3 16.379 32.757 2.73165 3120.8 70.1 70.3 5.6
5 2 1 1 18.004 36.008 2.49215 4455.0 100.0 100.0 5.7
6 2 0 2 18.281 36.562 2.45566 541.9 12.2 12.2 5.7
7 0 0 4 19.354 38.709 2.32425 786.2 17.6 17.6 5.7
8 2 2 0 22.127 44.253 2.04506 976.0 21.9 21.7 5.7
9 2 0 4 25.161 50.322 1.81171 277.0 6.2 6.1 5.8
10 1 0 5 25.794 51.588 1.77019 1044.9 23.5 23.1 5.8
11 3 1 2 26.907 53.814 1.70212 452.2 10.2 10.0 5.8
12 3 0 3 28.068 56.135 1.63711 376.3 8.4 8.3 5.8
13 3 2 1 29.159 58.318 1.58091 1430.7 32.1 31.3 5.8
14 2 2 4 30.112 60.225 1.53535 2529.4 56.8 55.2 5.8
15 1 1 6 32.113 64.226 1.449 114.0 2.6 2.5 5.9
16 4 0 0 32.186 64.372 1.44607 984.1 22.1 21.3 5.9
17 3 2 3 32.729 65.458 1.42469 48.9 1.1 1.1 5.9
18 2 0 6 34.331 68.661 1.36583 123.3 2.8 2.7 5.9
19 3 0 5 35.136 70.271 1.33842 253.4 5.7 5.4 5.9
20 3 3 2 36.07 72.141 1.30826 77.8 1.7 1.7 5.9
21 4 2 0 36.551 73.103 1.29341 71.2 1.6 1.5 6.0
22 4 1 3 37.064 74.127 1.27804 475.4 10.7 10.1 6.0
23 4 2 2 38.182 76.365 1.24607 200.7 4.5 4.3 6.0
24 4 0 4 38.855 77.71 1.22783 234.5 5.3 5.0 6.0
25 3 2 5 39.357 78.714 1.21466 56.9 1.3 1.2 6.0
26 3 1 6 40.655 81.31 1.18231 135.2 3.0 2.8 6.1
27 2 1 7 40.688 81.377 1.18151 254.8 5.7 5.3 6.1
28 0 0 8 41.515 83.031 1.16212 211.9 4.8 4.4 6.1
29 4 2 4 42.964 85.929 1.1302 121.3 2.7 2.5 6.1
30 4 1 5 43.457 86.914 1.1199 366.3 8.2 7.6 6.1
31 5 1 2 44.343 88.686 1.10205 107.9 2.4 2.2 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)
|