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 1008402
_database_code_amcsd 0016311
3.8099 3.8789 11.6425 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 .1846        .30    .30    .30      0      0      0
Y1   .5 .5    .5        .31    .31    .31      0      0      0
Cu1   0  0     0        .32    .32    .32      0      0      0
Cu2   0  0 .3551        .25    .25    .25      0      0      0
O1    0  0 .1595        .50    .50    .50      0      0      0
O2   .5  0 .3782        .38    .38    .38      0      0      0
O3    0 .5 .3773        .37    .37    .37      0      0      0
O4    0 .5     0 .91    .95    .32    .45      0      0      0