Ba2YCu3O6.9
Williams A, Kwei G, Dreele R, Larson A, Raistrick I, Bish D
Physical Review B37 (1988) 7960-7962
Joint X-ray and neutron refinement of the structure of superconducting
YBa2Cu3O7-x: precision structure, anisotropic thermal parameters,
strain and cation disorder
_cod_database_code 1000030
_database_code_amcsd 0015238
3.82030 3.88548 11.68349 90 90 90 Pmmm
atom  x  y      z occ U(1,1) U(2,2) U(3,3) U(1,2) U(1,3) U(2,3)
Y    .5 .5     .5      .0085  .0106  .0085      0      0      0
Ba   .5 .5 .18393      .0078  .0096  .0198      0      0      0
Cu1   0  0      0      .0080  .0115  .0150      0      0      0
Cu2   0  0 .35501      .0033  .0036  .0207      0      0      0
O1    0 .5      0 .91  .0161  .0104  .0080      0      0      0
O2   .5  0 .37819      .0039  .0068  .0203      0      0      0
O3    0 .5 .37693      .0109  .0084  .0056      0      0      0
O4    0  0 .15840      .0162  .0123  .0097      0      0      0