Ba2 Cu3 O6.91 Y
Francois M, Junod A, Yvon K, Hewat A, Capponi J, Strobel P, Marezio M, Fischer P
Solid State Communications 66 (1988) 1117-1125
A study of the Cu-O chains in the high Tc superconductor Y Ba2 Cu3 O7
by high resolution neutron powder diffraction
_cod_database_code 1008387
_database_code_amcsd 0016296
3.8102 3.8791 11.6445 90 90 90 Pmmm
atom     x  y     z  occ B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Ba1     .5 .5 .1842         .35    .35    .35      0      0      0
Y1      .5 .5    .5         .30    .30    .30      0      0      0
Cu1      0  0     0         .31    .31    .31      0      0      0
Cu2      0  0 .3550         .26    .26    .26      0      0      0
O1       0  0 .1593         .48    .48    .48      0      0      0
O2      .5  0 .3781         .39    .39    .39      0      0      0
O3       0 .5 .3775         .38    .38    .38      0      0      0
O4   .0254 .5     0 .455    .36    .36    .36      0      0      0