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 1008404
_database_code_amcsd 0016313
3.8109 3.8793 11.6477 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 .1841        .37    .37    .37      0      0      0
Y1   .5 .5    .5        .28    .28    .28      0      0      0
Cu1   0  0     0        .31    .31    .31      0      0      0
Cu2   0  0 .3549        .29    .29    .29      0      0      0
O1    0  0 .1589        .50    .50    .50      0      0      0
O2   .5  0 .3779        .41    .41    .41      0      0      0
O3    0 .5 .3776        .39    .39    .39      0      0      0
O4    0 .5     0 .91   1.14    .12    .68      0      0      0