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 ***
***********************
TITANOWODGINITE
1, t-wodginite, f-ixiolite, g-wodginite
Mn''TiTa(2)O(8)
Monoclinic C 2/c Z = 4
C2/c
17 .7 .23
Ref.Str.:
Ercit T.S., Hawtorne F.C., Cerny P., McCammon C.A. (1992)
* Canad. Mineral., 30, 597-638
L: $Mn0.76 Fe2+0.22 Ti0.62 Sn0.30 Fe3+0.02 Ta1.58 Nb0.48 O8$
R: IMA1984-008. Locality - Tanco Mine, Bernic Lake, Lac-du-Bonnet area,
Manitoba, Canada.
The coordinates of atoms are from WODGINITE [3]. N.A.D.
Initial data from BDM-file
Lattice parameters (cub. angs.,degr.):
a = 9.4456 alpha = 90.0
b = 11.431 beta = 90.31
c = 5.126 gamma = 90.0
Unit cell volume (cub. angs.) = 553.46
Molar volume ( cub.cm/mol.) = 83.34
Co-ordinates, thermal parameters, occupation for atomic positions:
NoP x/a y/b z/c B(j) atom / occupation
1 0.0 0.6655 0.25 0.0 Mn = 0.76, Fe = 0.22
2 0.253 0.4129 0.245 0.0 Ta = 0.76, Nb = 0.24
3 0.0 0.1635 0.25 0.0 Ti = 0.62, Sn = 0.3 , Ta = 0.06, Fe = 0.02
4 0.133 0.066 0.105 0.0 O = 1.00
5 0.139 0.432 0.569 0.0 O = 1.00
6 0.118 0.299 0.099 0.0 O = 1.00
7 0.104 0.186 0.587 0.0 O = 1.00
Co-ordinates for all atomic positions :
No NoP x/a y/b z/c
1 1 0.0 0.6655 0.25
2 2 0.253 0.4129 0.245
3 3 0.0 0.1635 0.25
4 4 0.133 0.066 0.105
5 5 0.139 0.432 0.569
6 6 0.118 0.299 0.099
7 7 0.104 0.186 0.587
8 1 0.0 0.3345 0.75
9 2 0.747 0.5871 0.755
10 3 0.0 0.8365 0.75
11 4 0.867 0.934 0.895
12 5 0.861 0.568 0.431
13 6 0.882 0.701 0.901
14 7 0.896 0.814 0.413
15 2 0.253 0.5871 0.745
16 4 0.133 0.934 0.605
17 5 0.139 0.568 0.069
18 6 0.118 0.701 0.599
19 7 0.104 0.814 0.087
20 2 0.747 0.4129 0.255
21 4 0.867 0.066 0.395
22 5 0.861 0.432 0.931
23 6 0.882 0.299 0.401
24 7 0.896 0.186 0.913
25 1 0.5 0.8345 0.75
26 2 0.753 0.0871 0.745
27 3 0.5 0.3365 0.75
28 4 0.633 0.434 0.605
29 5 0.639 0.068 0.069
30 6 0.618 0.201 0.599
31 7 0.604 0.314 0.087
32 1 0.5 0.1655 0.25
33 2 0.247 0.9129 0.255
34 3 0.5 0.6635 0.25
35 4 0.367 0.566 0.395
36 5 0.361 0.932 0.931
37 6 0.382 0.799 0.401
38 7 0.396 0.686 0.913
39 2 0.753 0.9129 0.245
40 4 0.633 0.566 0.105
41 5 0.639 0.932 0.569
42 6 0.618 0.799 0.099
43 7 0.604 0.686 0.587
44 2 0.247 0.0871 0.755
45 4 0.367 0.434 0.895
46 5 0.361 0.068 0.431
47 6 0.382 0.201 0.901
48 7 0.396 0.314 0.413
X-ray density (g/cm cub.) = 6.95
MU (1/cm) = 1264.874 Mass attenuation coefficient (cm**2/g) = 182.107
Selected interatomic distances (cation-anion,anion-anion):
NoP Atom Rad.sph. C.N. Distance NoP N.
(angs.) (angs.)
1 Mn ,Fe 2.724 6
1.9596 5
2.1415 6
2.1339 7
1.9596 5
2.1415 6
2.1339 7
2 Ta ,Nb 2.436 6
1.9962 5
1.9675 6
2.2597 5
2.1919 4
2.1112 4
1.9574 7
3 Ti ,Sn ,Ta ,Fe 2.856 6
1.8393 4
2.0615 6
1.9992 7
1.8393 4
2.0615 6
1.9992 7
4 O 3.264 12
2.6674 6
2.8405 7
2.9999 7
3.1175 4
2.9742 4
2.9742 4
2.895 7
2.9263 4
2.7996 7
2.7929 5
2.7188 5
3.0055 6
5 O 3.264 12
3.1205 6
2.8548 6
2.833 7
3.1293 5
2.9976 5
2.9976 5
3.0852 6
3.2235 5
2.9872 6
2.7929 4
2.7188 4
2.8936 7
6 O 3.264 12
2.6674 4
2.8548 5
3.1205 5
2.819 7
2.9275 7
3.0852 5
2.9872 5
2.7208 6
2.6369 7
3.0055 4
2.9207 6
3.0773 7
7 O 3.264 12
2.9999 4
2.8405 4
2.833 5
2.9275 6
2.819 6
2.895 4
2.7996 4
2.6369 6
2.5861 7
2.8936 5
3.0773 6
3.2512 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 1 0 7.056 14.112 0.069 129.58 4 33.7 192.4
2 0 2 0 9.004 18.007 0.087 78.73 2 114.9 678.3
3 2 0 0 10.917 21.835 0.106 52.86 2 273.1 2573.7
4 1 1 -1 12.297 24.594 0.119 41.22 4 19.2 19.9
5 1 1 1 12.346 24.692 0.12 40.87 4 34.1 62.1
6 0 2 1 13.556 27.112 0.131 33.56 4 240.3 2531.2
7 2 2 0 14.222 28.445 0.137 30.3 4 333.4 4398.2
8 1 3 0 14.663 29.325 0.141 28.4 4 37.9 53.4
9 3 1 0 17.138 34.276 0.165 20.28 4 1.1 0.0
10 2 2 -1 17.503 35.006 0.168 19.37 4 548.4 7606.0
11 2 2 1 17.574 35.149 0.169 19.2 4 567.8 8081.9
12 1 3 -1 17.888 35.776 0.172 18.47 4 4.4 0.5
13 1 3 1 17.923 35.846 0.172 18.39 4 1.2 0.0
14 0 4 0 18.24 36.48 0.175 17.7 2 360.5 1501.6
15 3 1 -1 19.979 39.958 0.191 14.47 4 40.6 31.1
16 3 1 1 20.075 40.149 0.192 14.32 4 15.9 4.7
17 0 0 2 20.426 40.852 0.195 13.77 2 543.4 2655.3
18 0 4 1 20.999 41.998 0.2 12.95 4 411.6 2865.0
19 2 4 0 21.459 42.918 0.205 12.33 4 155.7 390.6
20 3 3 0 21.625 43.25 0.206 12.12 4 33.3 17.5
21 1 1 -2 21.685 43.37 0.207 12.05 4 46.4 33.9
22 1 1 2 21.744 43.489 0.207 11.97 4 12.6 2.5
23 4 0 0 22.259 44.517 0.212 11.36 2 442.5 1452.0
24 0 2 2 22.487 44.974 0.214 11.1 4 112.6 183.8
25 2 0 -2 23.339 46.678 0.221 10.21 2 398.3 1057.1
26 2 0 2 23.452 46.903 0.222 10.1 2 104.5 72.0
27 1 5 0 23.737 47.474 0.225 9.82 4 0.3 0.0
28 2 4 -1 23.884 47.767 0.226 9.69 4 67.2 57.2
29 2 4 1 23.939 47.878 0.227 9.63 4 337.8 1435.6
30 3 3 -1 24.023 48.045 0.228 9.56 4 46.5 26.9
31 3 3 1 24.105 48.21 0.228 9.48 4 12.0 1.8
32 4 2 0 24.195 48.39 0.229 9.4 4 116.6 167.0
33 2 2 -2 25.212 50.423 0.238 8.56 4 253.7 719.9
34 2 2 2 25.318 50.636 0.239 8.48 4 271.9 819.2
35 1 3 -2 25.513 51.026 0.241 8.34 4 24.3 6.4
36 1 3 2 25.565 51.131 0.241 8.3 4 15.0 2.4
37 1 5 -1 26.01 52.02 0.245 7.98 4 29.2 8.9
38 1 5 1 26.036 52.072 0.245 7.96 4 6.1 0.4
39 4 2 -1 26.4 52.801 0.249 7.71 4 192.6 373.4
40 4 2 1 26.503 53.006 0.249 7.64 4 251.6 631.6
41 3 1 -2 27.102 54.205 0.255 7.26 4 49.1 22.9
42 3 1 2 27.254 54.507 0.256 7.17 4 15.4 2.2
43 0 4 2 27.956 55.911 0.262 6.77 4 322.8 920.9
44 0 6 0 28.001 56.003 0.262 6.74 2 262.4 303.1
45 5 1 0 28.679 57.359 0.268 6.39 4 36.5 11.1
46 3 5 0 28.915 57.829 0.27 6.27 4 34.9 10.0
47 4 4 0 29.431 58.862 0.275 6.03 4 320.7 809.2
48 0 6 1 30.058 60.115 0.28 5.75 4 31.6 7.5
49 2 4 -2 30.324 60.649 0.282 5.64 4 137.9 139.9
50 2 6 0 30.415 60.829 0.283 5.6 4 561.7 2306.7
51 2 4 2 30.418 60.837 0.283 5.6 4 145.3 154.4
52 3 3 -2 30.431 60.861 0.283 5.59 4 23.5 4.0
53 3 3 2 30.571 61.143 0.284 5.54 4 33.3 8.0
54 5 1 -1 30.649 61.297 0.285 5.5 4 2.7 0.1
55 5 1 1 30.765 61.531 0.286 5.46 4 0.7 0.0
56 3 5 -1 30.898 61.796 0.287 5.41 4 33.0 7.7
57 4 0 -2 30.908 61.816 0.287 5.4 2 592.4 1237.8
58 3 5 1 30.968 61.935 0.288 5.38 4 16.4 1.9
59 4 0 2 31.094 62.187 0.289 5.33 2 605.3 1275.5
60 4 4 -1 31.383 62.765 0.291 5.22 4 515.4 1811.9
61 4 4 1 31.475 62.949 0.292 5.19 4 509.7 1760.9
62 5 3 0 31.903 63.806 0.295 5.04 4 22.6 3.4
63 1 5 -2 32.17 64.339 0.298 4.95 4 23.6 3.6
64 1 5 2 32.215 64.43 0.298 4.93 4 9.1 0.5
65 2 6 -1 32.354 64.708 0.299 4.89 4 63.3 25.6
66 2 6 1 32.399 64.799 0.3 4.87 4 87.1 48.3
67 4 2 -2 32.478 64.956 0.3 4.85 4 129.0 105.4
68 1 1 -3 32.494 64.988 0.3 4.84 4 10.1 0.6
69 1 1 3 32.562 65.124 0.301 4.82 4 50.7 16.2
70 4 2 2 32.658 65.317 0.302 4.79 4 81.7 41.8
71 0 2 3 33.119 66.239 0.305 4.65 4 211.7 272.1
72 5 3 -1 33.762 67.524 0.311 4.46 4 57.9 19.5
73 1 7 0 33.77 67.541 0.311 4.46 4 25.7 3.8
74 5 3 1 33.873 67.745 0.312 4.43 4 8.9 0.5
75 6 0 0 34.624 69.247 0.318 4.24 2 233.9 151.4
76 2 2 -3 35.264 70.529 0.323 4.08 4 476.2 1209.1
77 2 2 3 35.395 70.789 0.324 4.05 4 470.5 1171.4
78 1 3 -3 35.522 71.044 0.325 4.02 4 45.0 10.6
79 1 3 3 35.587 71.174 0.325 4.01 4 47.8 11.9
80 1 7 -1 35.624 71.247 0.326 4.0 4 30.8 5.0
81 1 7 1 35.645 71.291 0.326 4.0 4 6.5 0.2
82 0 6 2 35.803 71.605 0.327 3.96 4 215.9 241.2
83 6 2 0 36.11 72.221 0.329 3.9 4 201.2 206.0
84 5 1 -2 36.291 72.581 0.331 3.86 4 63.8 20.5
85 5 1 2 36.505 73.01 0.333 3.82 4 24.1 2.9
86 3 5 -2 36.541 73.083 0.333 3.81 4 55.0 15.1
87 3 5 2 36.67 73.339 0.334 3.78 4 7.5 0.3
88 3 1 -3 36.826 73.652 0.335 3.75 4 45.7 10.2
89 4 4 -2 36.978 73.956 0.336 3.72 4 293.5 418.9
90 3 1 3 37.018 74.036 0.337 3.72 4 27.7 3.7
91 4 6 0 37.103 74.205 0.337 3.7 4 203.8 200.7
92 4 4 2 37.149 74.297 0.338 3.69 4 289.7 404.5
93 0 4 3 37.584 75.168 0.341 3.61 4 524.0 1296.0
94 6 2 -1 37.862 75.724 0.343 3.57 4 471.9 1037.3
95 5 5 0 37.895 75.79 0.343 3.56 4 24.3 2.7
96 2 6 -2 37.902 75.803 0.343 3.56 4 508.7 1203.0
97 2 6 2 37.986 75.972 0.344 3.55 4 481.7 1074.4
98 6 2 1 37.989 75.977 0.344 3.55 4 458.6 973.9
99 3 7 0 38.1 76.199 0.345 3.53 4 22.5 2.3
100 0 8 0 38.755 77.51 0.35 3.43 2 277.8 172.6
101 4 6 -1 38.859 77.718 0.351 3.41 4 65.5 19.1
102 4 6 1 38.943 77.886 0.351 3.4 4 27.3 3.3
103 5 3 -2 39.191 78.382 0.353 3.36 4 25.1 2.8
104 5 3 2 39.4 78.8 0.355 3.33 4 41.9 7.7
105 2 4 -3 39.629 79.258 0.357 3.3 4 161.0 111.8
106 5 5 -1 39.63 79.259 0.357 3.3 4 54.4 12.8
107 3 3 -3 39.713 79.426 0.357 3.29 4 42.5 7.8
108 5 5 1 39.734 79.468 0.357 3.29 4 41.9 7.5
109 2 4 3 39.754 79.508 0.357 3.29 4 188.8 152.9
110 3 7 -1 39.852 79.705 0.358 3.27 4 4.2 0.1
111 3 3 3 39.901 79.801 0.359 3.27 4 12.2 0.6
112 3 7 1 39.915 79.83 0.359 3.27 4 0.5 0.0
113 6 4 0 40.443 80.886 0.363 3.2 4 126.8 67.2
114 0 8 1 40.531 81.061 0.363 3.19 4 464.6 899.2
115 2 8 0 40.845 81.69 0.366 3.16 4 61.8 15.7
116 1 7 -2 41.001 82.002 0.367 3.14 4 18.4 1.4
117 1 7 2 41.042 82.084 0.367 3.13 4 28.8 3.4
118 1 5 -3 41.297 82.594 0.369 3.11 4 61.6 15.4
119 1 5 3 41.359 82.717 0.369 3.1 4 11.3 0.5
120 4 2 -3 41.546 83.093 0.371 3.08 4 185.9 139.1
121 6 0 -2 41.697 83.395 0.372 3.07 2 132.1 34.9
122 4 2 3 41.794 83.588 0.373 3.06 4 192.3 147.7
123 7 1 0 41.873 83.746 0.373 3.05 4 33.1 4.4
124 6 0 2 41.945 83.889 0.374 3.04 2 299.4 178.1
125 6 4 -1 42.14 84.281 0.375 3.03 4 243.6 234.4
126 6 4 1 42.264 84.528 0.376 3.01 4 97.3 37.3
127 2 8 -1 42.581 85.161 0.378 2.99 4 209.0 170.4
128 2 8 1 42.622 85.244 0.379 2.98 4 206.4 166.1
129 6 2 -2 43.106 86.213 0.382 2.95 4 237.0 216.1
130 6 2 2 43.353 86.706 0.384 2.93 4 232.5 206.6
131 7 1 -1 43.552 87.103 0.385 2.91 4 58.6 13.1
132 7 1 1 43.695 87.39 0.386 2.9 4 48.3 8.9
133 4 6 -2 44.099 88.197 0.389 2.88 4 236.2 209.7
134 4 6 2 44.263 88.525 0.39 2.87 4 201.9 152.7
135 0 0 4 44.266 88.532 0.39 2.87 2 412.4 318.5
136 0 6 3 44.683 89.366 0.393 2.84 4 49.3 9.0
137 7 3 0 44.686 89.372 0.393 2.84 4 8.3 0.3
138 5 5 -2 44.844 89.687 0.394 2.84 4 48.0 8.5
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 7.056 14.112 7.28132 192.4 2.4 2.4 5.6
2 0 2 0 9.004 18.007 5.7155 678.3 8.4 8.5 5.6
3 2 0 0 10.917 21.835 4.72273 2573.7 31.8 32.2 5.6
4 0 2 1 13.556 27.112 3.81605 2531.2 31.3 31.5 5.6
5 2 2 0 14.222 28.445 3.64066 4398.2 54.4 54.7 5.6
6 2 2 -1 17.503 35.006 2.97405 7606.0 94.1 94.1 5.7
7 2 2 1 17.574 35.149 2.96236 8081.9 100.0 100.0 5.7
8 0 4 0 18.24 36.48 2.85775 1501.6 18.6 18.6 5.7
9 0 0 2 20.426 40.852 2.56296 2655.3 32.9 32.7 5.7
10 0 4 1 20.999 41.998 2.49605 2865.0 35.4 35.2 5.7
11 2 4 0 21.459 42.918 2.44498 390.6 4.8 4.8 5.7
12 4 0 0 22.259 44.517 2.36137 1452.0 18.0 17.8 5.7
13 0 2 2 22.487 44.974 2.3386 183.8 2.3 2.3 5.7
14 2 0 -2 23.339 46.678 2.25776 1057.1 13.1 12.9 5.7
15 2 4 1 23.939 47.878 2.2044 1435.6 17.8 17.5 5.7
16 4 2 0 24.195 48.39 2.18244 167.0 2.1 2.0 5.7
17 2 2 -2 25.212 50.423 2.09986 719.9 8.9 8.8 5.8
18 2 2 2 25.318 50.636 2.09163 819.2 10.1 10.0 5.8
19 4 2 -1 26.4 52.801 2.01164 373.4 4.6 4.5 5.8
20 4 2 1 26.503 53.006 2.0044 631.6 7.8 7.7 5.8
21 0 4 2 27.956 55.911 1.90802 920.9 11.4 11.1 5.8
22 0 6 0 28.001 56.003 1.90517 303.1 3.8 3.7 5.8
23 4 4 0 29.431 58.862 1.82033 809.2 10.0 9.7 5.8
24 2 4 -2 30.324 60.649 1.77158 139.9 1.7 1.7 5.8
25 2 6 0 30.415 60.829 1.76682 2465.1 30.5 29.6 5.8
26 4 0 -2 30.908 61.816 1.74134 1245.5 15.4 14.9 5.8
27 4 0 2 31.094 62.187 1.73198 1275.5 15.8 15.3 5.8
28 4 4 -1 31.383 62.765 1.71764 1811.9 22.4 21.7 5.9
29 4 4 1 31.475 62.949 1.71312 1760.9 21.8 21.1 5.9
30 4 2 -2 32.478 64.956 1.66575 106.1 1.3 1.3 5.9
31 0 2 3 33.119 66.239 1.63705 272.1 3.4 3.2 5.9
32 6 0 0 34.624 69.247 1.57424 151.4 1.9 1.8 5.9
33 2 2 -3 35.264 70.529 1.54925 1209.1 15.0 14.3 5.9
34 2 2 3 35.395 70.789 1.54429 1171.4 14.5 13.8 5.9
35 0 6 2 35.803 71.605 1.529 241.2 3.0 2.8 5.9
36 6 2 0 36.11 72.221 1.51773 206.0 2.5 2.4 5.9
37 4 4 -2 36.978 73.956 1.48703 418.9 5.2 4.9 6.0
38 4 6 0 37.103 74.205 1.48275 200.7 2.5 2.4 6.0
39 4 4 2 37.149 74.297 1.48118 404.5 5.0 4.7 6.0
40 0 4 3 37.584 75.168 1.46651 1296.0 16.0 15.2 6.0
41 6 2 -1 37.862 75.724 1.45735 1037.3 12.8 12.1 6.0
42 2 6 -2 37.902 75.803 1.45604 1205.7 14.9 14.1 6.0
43 2 6 2 37.986 75.972 1.45329 2048.3 25.3 23.9 6.0
44 0 8 0 38.755 77.51 1.42887 172.6 2.1 2.0 6.0
45 2 4 -3 39.629 79.258 1.40238 124.5 1.5 1.4 6.0
46 2 4 3 39.754 79.508 1.3987 152.9 1.9 1.8 6.0
47 0 8 1 40.531 81.061 1.3764 899.2 11.1 10.4 6.1
48 4 2 -3 41.546 83.093 1.34865 139.1 1.7 1.6 6.1
49 4 2 3 41.794 83.588 1.34212 147.7 1.8 1.7 6.1
50 6 0 2 41.945 83.889 1.33818 178.1 2.2 2.0 6.1
51 6 4 -1 42.14 84.281 1.33312 234.4 2.9 2.7 6.1
52 2 8 -1 42.581 85.161 1.32194 170.4 2.1 2.0 6.1
53 2 8 1 42.622 85.244 1.32091 166.1 2.1 1.9 6.1
54 6 2 -2 43.106 86.213 1.30892 216.1 2.7 2.5 6.1
55 6 2 2 43.353 86.706 1.30295 206.6 2.6 2.4 6.1
56 4 6 -2 44.099 88.197 1.28534 209.7 2.6 2.4 6.2
57 0 0 4 44.266 88.532 1.28148 471.2 5.8 5.3 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)
|