Straczekite
Kutoglu A
Zeitschrift fur Kristallographie 162 (1983) 263-272
Kristallstruktur der calcium-vanadium-bronze CaxV4+2xV5+(2-2x)O5
Locality: synthetic
Note: z(Ca1) and z(O5) corrected
_database_code_amcsd 0010852
11.805 3.709 9.270 90 101.87 90 C2/m
atom      x  y      z   occ Biso U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ca1       0 .5     .5    .4 3.39  .0429  .0402  .0474      0  .0129      0
Ca2  .18647 .5 .49853    .4 1.03  .0148  .0137  .0101      0  .0017      0
V1   .09160  0 .15567 .9739  .53  .0076  .0060  .0070      0  .0019      0
V2   .29031 .5 .15258 .9739  .54  .0079  .0047  .0073      0  .0004      0
O1    .1203  0  .3363       1.26  .0210  .0167  .0098      0  .0024      0
O2    .1198 .5  .1269        .89  .0103  .0074  .0163      0  .0031      0
O3    .2540  0  .1062        .86  .0118  .0074  .0136      0  .0029      0
O4    .4385 .5  .1039        .95  .0087  .0161  .0112      0  .0022      0
O5    .3269 .5  .3326       1.34  .0191  .0198  .0107      0 -.0002      0