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 1008412
_database_code_amcsd 0016321
3.8158 3.8822 11.6737 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 .1847        .59    .59    .59      0      0      0
Y1   .5 .5    .5        .45    .45    .45      0      0      0
Cu1   0  0     0        .46    .46    .46      0      0      0
Cu2   0  0 .3552        .45    .45    .45      0      0      0
O1    0  0 .1588        .68    .68    .68      0      0      0
O2   .5  0 .3778        .56    .56    .56      0      0      0
O3    0 .5 .3778        .55    .55    .55      0      0      0
O4    0 .5     0 .91   2.25    .29    .98      0      0      0