Volborthite
Yoshida H, Yamaura J, Isobe M, Nilsen G J, Hiroi Z
Nature Communications 3 (2012) 8601-8605
Orbital switching in a frustrated magnet
T = 150 K
Locality: synthetic
_database_code_amcsd 0019037
10.6418 5.8485 14.4157 90 95.443 90 I2/a
atom       x       y      z   Uiso U(1,1) U(2,2) U(3,3)  U(1,2)  U(1,3)  U(2,3)
Cu1      .25     .25    .25   .004 .00334 .00405 .00611 -.00049  .00081 -.00122
Cu2  -.00323  .49489 .25143 .00464 .00430 .00285 .00643  .00041 -.00127 -.00017
V     .24661  .72632 .37680 .00362 .00372 .00388 .00318  .00005 -.00002 -.00006
O1       .25   .7018     .5    .01  .0128  .0148  .0046       0   .0001       0
O2    .09314   .2470 .30893 .00490  .0047  .0047  .0052   .0001   .0002  -.0002
O31   .32561  -.0423 .35102  .0082  .0080  .0067  .0098  -.0017   .0000   .0010
O32   .32022   .4918 .33660   .007  .0059  .0065  .0081   .0003   .0005  -.0018
O4    .09137   .7443 .32496   .006  .0054  .0055  .0071  -.0001  -.0011   .0001
Wat5   .4279   .2378  .5103  .0259  .0305  .0387  .0081   .0046   .0001   .0008
H      .1016   .2447  .3772  .0076