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 1008405
_database_code_amcsd 0016314
3.8115 3.8795 11.6512 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        .39    .39    .39      0      0      0
Y1   .5 .5    .5        .34    .34    .34      0      0      0
Cu1   0  0     0        .35    .35    .35      0      0      0
Cu2   0  0 .3553        .30    .30    .30      0      0      0
O1    0  0 .1591        .53    .53    .53      0      0      0
O2   .5  0 .3783        .42    .42    .42      0      0      0
O3    0 .5 .3774        .43    .43    .43      0      0      0
O4    0 .5     0 .91   1.37    .30    .43      0      0      0