American Mineralogist Crystal Structure Database

2 matching records for this search.

Ba2 O9 V3
 
Dhaussy A, Abraham F, Mentre O, Steinfink H
 
Journal of Solid State Chemistry 126 (1996) 328-335
Crystal structure and characterization of Ba2 V3 O9: a vanadyl(IV)
vanadate containing rutile-like chains of V O6 octahedra
_cod_database_code 1004116
_database_code_amcsd 0013901
9.302 5.969 8.118 90 113.96 90 P2_1/m
atom      x      y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Ba1  .58821    .25 .19377      .0081  .0099  .0096      0  .0037      0
Ba2  .76547    .25 .78224      .0153  .0209  .0139      0  .0098      0
V1   .32357    .25 .52905      .0070  .0060  .0097      0  .0043      0
V2   .18540    .25 .92363      .0074  .0087  .0064      0  .0018      0
V3   .98928 .03453 .47520  .5  .0064  .0054  .0078 -.0013  .0021 -.0011
O1    .3047  .0236 -.0083      .0167  .0088  .0117  .0019  .0026  .0017
O2    .2088  .0050  .4918      .0074  .0081  .0180 -.0009  .0051 -.0010
O3    .4228    .25  .3991      .0348  .0276  .0311      0  .0278      0
O4    .0681    .25  .0310      .0171  .0566  .0154      0  .0110      0
O5    .4537    .25  .7435      .0102  .0166  .0155      0 -.0014      0
O6    .9283    .25  .3286      .0090  .0125  .0107      0  .0036      0
O7    .0618    .25  .6790      .0116  .0076  .0077      0  .0016      0
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Fe1.75 O11 Pb V4.25
 
Mentre O, Dhaussy A, Abraham F, Steinfink H
 
Journal of Solid State Chemistry 130 (1997) 223-233
Effect of iron substitution on the structural, electric, and magnetic
properties in R-type Pb Fex V6-x O11, a frustrated system
_cod_database_code 1004123
_database_code_amcsd 0013923
5.742 5.742 13.507 90 90 120 P6_3mc
atom     x     y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Pb1    1/3   2/3  .2214      .0162  .0162  .0140  .0081      0      0
V1   .5094 .4906 -.0003      .0085  .0085  .0407  .0042      0      0
V2       0     0  .1459 .75  .0002  .0002  .0055  .0001      0      0
Fe1      0     0  .1459 .25  .0002  .0002  .0055  .0001      0      0
V3       0     0  .3522  .5  .0048  .0048  .0029  .0012  .0015 -.0015
Fe2      0     0  .3522  .5  .0048  .0048  .0029  .0012  .0015 -.0015
Fe3    2/3   1/3  .2703      .0072  .0072  .0010  .0036      0      0
O1    .173  .827   .081
O2    .153  .847    .75
O3    .173  .827   .421
O4     2/3   1/3   .420
O5     2/3   1/3   .086
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Total number of retrieved datasets: 2
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