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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MAUROGEMMIITE
1, DN
Ti(10)Fe(3)O(3)
Hexagonal P 6(3)/mmc Z = 2
R =0.1089 NR =2140
16 .2 .26
Ref.Str.:
Mugnaioli E., Xiong F., Xu X., Yang J., Grew, E.S. (2025)
* Mineral. Mag., 89(6), 855-871, doi:10.1180/mgm.2025.10169
L: $Ti10 Al0.07 Si0.51 Fe3.23 Ni0.11 O2.91$
R: Locality - Luobusa Village, Luobusa mine, Tibet, China.
IMA2022-098a. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 8.065 alpha = 90.0
b = 8.065 beta = 90.0
c = 8.015 gamma = 120.0
Unit cell volume (cub. angs.) = 451.48
Molar volume ( cub.cm/mol.) = 135.97
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.0 0.5 0.0 Ti = 1.00
2 0.797 0.5941 0.4389 0.0 Ti = 1.00
3 0.5454 0.4547 0.75 0.0 Ti = 1.00
4 0.8884 0.7767 0.75 0.0 Fe = 1.00
5 0.6667 0.3333 0.25 0.0 Fe = 0.23, Fe = 0.0
6 0.5 0.5 0.0 0.0 O = 0.85, O = 0.0
7 0.6667 0.3333 0.571 0.0 O = 0.18, O = 0.0
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.0 0.5
2 2 0.797 0.5941 0.4389
3 3 0.5454 0.4547 0.75
4 4 0.8884 0.7767 0.75
5 5 0.6667 0.3333 0.25
6 6 0.5 0.5 0.0
7 7 0.6667 0.3333 0.571
8 2 0.4059 0.2029 0.4389
9 2 0.7971 0.203 0.4389
10 3 0.5454 0.0907 0.75
11 3 0.9093 0.4547 0.75
12 4 0.2233 0.1116 0.75
13 4 0.8884 0.1117 0.75
14 6 0.5 0.0 0.0
15 6 0.0 0.5 0.0
16 1 0.0 0.0 0.0
17 2 0.203 0.4059 0.9389
18 3 0.4546 0.5453 0.25
19 4 0.1116 0.2233 0.25
20 5 0.3333 0.6667 0.75
21 6 0.5 0.5 0.5
22 7 0.3333 0.6667 0.071
23 2 0.5941 0.7971 0.9389
24 2 0.2029 0.797 0.9389
25 3 0.4546 0.9093 0.25
26 3 0.0907 0.5453 0.25
27 4 0.7767 0.8884 0.25
28 4 0.1116 0.8884 0.25
29 6 0.5 0.0 0.5
30 6 0.0 0.5 0.5
31 2 0.797 0.5941 0.0611
32 7 0.6667 0.3333 0.929
33 2 0.4059 0.2029 0.0611
34 2 0.7971 0.203 0.0611
35 2 0.203 0.4059 0.5611
36 7 0.3333 0.6667 0.429
37 2 0.5941 0.7971 0.5611
38 2 0.2029 0.797 0.5611
X-ray density (g/cm cub.) = 5.19
MU (1/cm) = 1160.998 Mass attenuation coefficient (cm**2/g) = 223.646
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Ti 2.568 6
2.5392 4
2.5392 4
2.5391 4
2.5392 4
2.5392 4
2.5391 4
2 Ti 2.568 4
2.3685 5
2.107 7
2.1764 6
2.1766 6
3 Ti 2.568 4
2.1015 6
2.2208 7
2.1015 6
2.2208 7
4 Fe 3.144 2
2.7013 4
2.7013 4
5 Fe ,Fe 3.144 8
3.0721 6
2.5728 7
3.0715 6
3.0715 6
3.0721 6
3.0715 6
3.0715 6
2.5728 7
6 O ,O 3.264 4
3.0721 5
3.0721 5
2.3972 7
2.3972 7
7 O ,O 3.264 5
2.5728 5
2.3972 6
2.3965 6
2.3965 6
2.8694 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 7.358 14.715 0.072 118.99 6 38.9 530.1
2 1 0 1 9.78 19.56 0.095 66.39 12 10.4 42.5
3 1 1 0 12.816 25.631 0.124 37.79 6 12.4 17.0
4 0 0 2 12.897 25.794 0.125 37.29 2 23.0 19.4
5 2 0 0 14.84 29.681 0.143 27.67 6 18.4 27.7
6 1 0 2 14.911 29.823 0.144 27.39 12 20.9 70.7
7 2 0 1 16.223 32.447 0.156 22.84 12 18.5 46.2
8 1 1 2 18.341 36.682 0.176 17.48 12 1.2 0.1
9 2 1 0 19.805 39.611 0.189 14.75 12 57.2 284.3
10 2 0 2 19.861 39.721 0.19 14.66 12 38.6 128.5
11 2 1 1 20.9 41.799 0.199 13.09 24 3.4 1.8
12 1 0 3 21.005 42.01 0.2 12.94 12 115.6 1018.0
13 3 0 0 22.594 45.187 0.215 10.98 6 153.1 758.0
14 3 0 1 23.583 47.165 0.224 9.97 12 228.2 3055.8
15 2 1 2 23.937 47.874 0.227 9.64 24 161.5 2961.0
16 2 0 3 24.931 49.863 0.236 8.79 12 179.1 1658.4
17 2 2 0 26.335 52.671 0.248 7.75 6 170.5 663.3
18 3 0 2 26.38 52.76 0.248 7.72 12 55.7 141.2
19 0 0 4 26.512 53.025 0.25 7.64 2 265.2 527.1
20 3 1 0 27.499 54.999 0.258 7.03 12 14.9 9.1
21 1 0 4 27.671 55.343 0.26 6.93 12 46.8 89.2
22 3 1 1 28.362 56.723 0.266 6.55 24 46.6 167.3
23 2 1 3 28.446 56.892 0.266 6.51 24 11.2 9.5
24 2 2 2 29.776 59.552 0.278 5.87 12 78.5 213.2
25 1 1 4 29.899 59.797 0.279 5.82 12 17.1 10.0
26 3 0 3 30.637 61.274 0.285 5.51 12 46.0 68.7
27 4 0 0 30.814 61.628 0.286 5.44 6 12.8 2.6
28 3 1 2 30.854 61.708 0.287 5.42 24 15.4 15.2
29 2 0 4 30.974 61.949 0.288 5.38 12 78.7 196.0
30 4 0 1 31.619 63.238 0.293 5.14 12 32.6 32.2
31 3 2 0 33.933 67.865 0.312 4.42 12 26.9 18.8
32 4 0 2 33.971 67.941 0.312 4.41 12 81.7 173.0
33 2 1 4 34.085 68.169 0.313 4.38 24 35.5 64.9
34 3 2 1 34.699 69.398 0.318 4.22 24 12.9 8.2
35 3 1 3 34.774 69.548 0.319 4.2 24 57.0 160.8
36 1 0 5 34.925 69.849 0.32 4.16 12 31.3 24.1
37 4 1 0 35.935 71.869 0.328 3.93 12 24.4 13.8
38 3 0 4 36.083 72.166 0.329 3.9 12 60.7 84.7
39 4 1 1 36.682 73.365 0.334 3.78 24 43.5 84.4
40 3 2 2 36.955 73.91 0.336 3.73 24 49.9 109.4
41 4 0 3 37.731 75.462 0.342 3.59 12 45.4 43.6
42 2 0 5 37.877 75.754 0.343 3.56 12 42.0 37.0
43 4 1 2 38.893 77.787 0.351 3.4 24 7.4 2.2
44 2 2 4 39.002 78.003 0.352 3.39 12 68.5 93.8
45 5 0 0 39.816 79.631 0.358 3.28 6 90.0 78.1
46 3 1 4 39.959 79.918 0.359 3.26 24 22.3 19.2
47 5 0 1 40.539 81.079 0.363 3.19 12 16.7 5.2
48 3 2 3 40.611 81.222 0.364 3.18 24 136.7 700.4
49 2 1 5 40.754 81.507 0.365 3.17 24 0.4 0.0
50 3 3 0 41.716 83.432 0.372 3.06 6 263.4 626.1
51 0 0 6 42.035 84.071 0.374 3.04 2 216.6 139.7
52 4 1 3 42.504 85.008 0.378 2.99 24 32.1 36.3
53 3 0 5 42.646 85.292 0.379 2.98 12 226.7 902.1
54 4 2 0 42.66 85.32 0.379 2.98 12 40.6 29.0
55 5 0 2 42.696 85.391 0.379 2.98 12 177.0 549.1
56 4 0 4 42.802 85.604 0.38 2.97 12 8.2 1.2
57 1 0 6 42.979 85.957 0.381 2.96 12 4.5 0.4
58 4 2 1 43.376 86.751 0.384 2.93 24 21.0 15.2
59 3 3 2 44.577 89.155 0.392 2.85 12 70.4 83.1
60 1 1 6 44.86 89.719 0.394 2.84 12 31.9 17.0
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 0 0 7.358 14.715 6.98449 530.1 17.3 17.8 5.6
2 1 0 1 9.78 19.56 5.26568 42.5 1.4 1.4 5.6
3 1 0 2 14.911 29.823 3.47597 70.7 2.3 2.4 5.6
4 2 0 1 16.223 32.447 3.20154 46.2 1.5 1.5 5.6
5 2 1 0 19.805 39.611 2.63989 284.3 9.3 9.4 5.7
6 2 0 2 19.861 39.721 2.63284 128.5 4.2 4.2 5.7
7 1 0 3 21.005 42.01 2.49534 1018.0 33.3 33.5 5.7
8 3 0 0 22.594 45.187 2.32816 758.0 24.8 24.9 5.7
9 3 0 1 23.583 47.165 2.23575 3055.8 100.0 100.0 5.7
10 2 1 2 23.937 47.874 2.20456 2961.0 96.9 96.8 5.7
11 2 0 3 24.931 49.863 2.12193 1658.4 54.3 54.1 5.7
12 2 2 0 26.335 52.671 2.01625 663.3 21.7 21.6 5.8
13 3 0 2 26.38 52.76 2.0131 141.2 4.6 4.6 5.8
14 0 0 4 26.512 53.025 2.00375 527.1 17.3 17.1 5.8
15 1 0 4 27.671 55.343 1.92606 89.2 2.9 2.9 5.8
16 3 1 1 28.362 56.723 1.88294 167.3 5.5 5.4 5.8
17 2 2 2 29.776 59.552 1.80114 213.2 7.0 6.9 5.8
18 3 0 3 30.637 61.274 1.75523 68.7 2.2 2.2 5.8
19 2 0 4 30.974 61.949 1.73799 196.0 6.4 6.3 5.8
20 4 0 1 31.619 63.238 1.70611 32.2 1.1 1.0 5.9
21 4 0 2 33.971 67.941 1.60077 173.0 5.7 5.5 5.9
22 2 1 4 34.085 68.169 1.59606 64.9 2.1 2.1 5.9
23 3 1 3 34.774 69.548 1.56828 160.8 5.3 5.1 5.9
24 3 0 4 36.083 72.166 1.51872 84.7 2.8 2.7 5.9
25 4 1 1 36.682 73.365 1.49731 84.4 2.8 2.7 6.0
26 3 2 2 36.955 73.91 1.48783 109.4 3.6 3.4 6.0
27 4 0 3 37.731 75.462 1.46164 43.6 1.4 1.4 6.0
28 2 0 5 37.877 75.754 1.45685 37.0 1.2 1.2 6.0
29 2 2 4 39.002 78.003 1.42126 93.8 3.1 2.9 6.0
30 5 0 0 39.816 79.631 1.3969 78.1 2.6 2.4 6.0
31 3 2 3 40.611 81.222 1.37415 700.4 22.9 21.7 6.1
32 3 3 0 41.716 83.432 1.34417 626.1 20.5 19.3 6.1
33 0 0 6 42.035 84.071 1.33583 139.7 4.6 4.3 6.1
34 4 1 3 42.504 85.008 1.32386 36.3 1.2 1.1 6.1
35 3 0 5 42.646 85.292 1.32031 931.0 30.5 28.5 6.1
36 5 0 2 42.696 85.391 1.31906 549.1 18.0 16.8 6.1
37 3 3 2 44.577 89.155 1.27439 83.1 2.7 2.5 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)
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