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American Mineralogist Crystal Structure Database

1 matching records for this search.

Oxyvanite
  
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: Crystal I-2-7
_database_code_amcsd 0007328
10.0299 5.0505 6.999 90 111.13 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 .593 .00557  .0070  .0042 .00645  .00085 .00368  .00075
Ti4+1       0       0       0 .407 .00557  .0070  .0042 .00645  .00085 .00368  .00075
V3+2  -.12871 -.50005 -.21740 .835 .00847 .01035 .00806 .00930  .00140 .00630  .00182
Cr3+2 -.12871 -.50005 -.21740 .164 .00847 .01035 .00806 .00930  .00140 .00630  .00182
O1     .19284   .1544   .1536       .0102  .0090  .0086  .0121  -.0008  .0027  -.0012
O2     .08080  -.3434  -.0570       .0074  .0100  .0058  .0076  -.0010  .0048  -.0016
O3          0   .1931    -.25       .0069  .0094  .0050  .0080       0  .0051       0


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