Berdesinskiite
Armbruster T, Galuskin E V, Reznitsky L Z, Sklyarov E V
European Journal of Mineralogy 21 (2009) 885-891
X-ray structural investigation of the oxyvanite (V3O5) - berdesinskiite (V2TiO5)
series: V4+ substituting for octahedrally coordinated Ti4+
Locality: Pereval marble quarry, Sludyanka complex, south of Lake Baikal, Russia
Sample: III-7-22
_database_code_amcsd 0007330
10.033 5.039 6.988 90 111.50 90 C2/c
atom        x       y       z  occ  Uiso U(1,1) U(2,2) U(3,3)  U(1,2) U(1,3)  U(2,3)
V4+1        0       0       0 .242 .0055  .0056  .0063  .0047 -.00038  .0019 -.00018
Ti4+1       0       0       0 .758 .0055  .0056  .0063  .0047 -.00038  .0019 -.00018
V3+2  -.12929 -.50103 -.21777 .690 .0092  .0103  .0104  .0079 -.00078  .0045 -.00129
Cr3+2 -.12929 -.50103 -.21777 .305 .0092  .0103  .0104  .0079 -.00078  .0045 -.00129
Al2   -.12929 -.50103 -.21777 .003 .0092  .0103  .0104  .0079 -.00078  .0045 -.00129
Mg2   -.12929 -.50103 -.21777 .002 .0092  .0103  .0104  .0079 -.00078  .0045 -.00129
O1     .19176   .1552   .1544      .0101  .0089  .0103  .0099   .0009  .0022   .0006
O2      .0813  -.3446  -.0559      .0081  .0091  .0083  .0073  -.0012  .0033  -.0008
O3          0   .1936    -.25      .0089  .0110  .0102  .0065       0  .0042       0