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 1008413
_database_code_amcsd 0016322
3.8177 3.8836 11.6827 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 .1844        .64    .64    .64      0      0      0
Y1   .5 .5    .5        .49    .49    .49      0      0      0
Cu1   0  0     0        .51    .51    .51      0      0      0
Cu2   0  0 .3552        .52    .52    .52      0      0      0
O1    0  0 .1588        .75    .75    .75      0      0      0
O2   .5  0 .3779        .62    .62    .62      0      0      0
O3    0 .5 .3780        .64    .64    .64      0      0      0
O4    0 .5     0 .91   2.40    .17    .78      0      0      0