Tomichite
Grey I E, Madsen I C, Harris D C
American Mineralogist 72 (1987) 201-208
Barian tomichite, Ba.5(As2).5Ti2(V,Fe)5O13(OH), its crystal structure and
relationship to derbylite and tomichite
_database_code_amcsd 0001066
7.105 14.217 5.043 90 104.97 90 A2/m
atom     x     y     z  occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ti1      0     0     0  .55  .0086  .0078  .0087      0  .0016      0
V1       0     0     0 .225  .0086  .0078  .0087      0  .0016      0
Fe1      0     0     0 .225  .0086  .0078  .0087      0  .0016      0
Ti2      0 .6172     0  .45  .0079  .0141  .0102      0  .0034      0
V2       0 .6172     0 .275  .0079  .0141  .0102      0  .0034      0
Fe2      0 .6172     0 .275  .0079  .0141  .0102      0  .0034      0
Ti3  .3171 .1916 .1185  .24  .0060  .0074  .0062 -.0018  .0025 -.0007
V3   .3171 .1916 .1185  .38  .0060  .0074  .0062 -.0018  .0025 -.0007
Fe3  .3171 .1916 .1185  .38  .0060  .0074  .0062 -.0018  .0025 -.0007
Ba      .5    .5     0  .35  .0102  .0084  .0095      0 -.0028      0
As   .5807     0 .2396  .47  .0032  .0047  .0099      0  .0013      0
O1   .1593 .0983 .2329        .008   .008   .009  -.001   .003   .000
O2   .1741 .2985 .2275        .008   .010   .006   .003   .000   .001
O3      .5 .2859     0        .006   .008   .006      0   .002      0
O4      .5 .0947     0        .015   .008   .016      0   .002      0
O5   .1488     0 .7175        .011   .009   .010      0   .004      0