Ba2 Cu3 O6.877 Y
Sullivan J, Bordet P, Marezio M, Takenaka K, Uchida S
Physical Review B48 (1993) 10638-10641
Electron-density Fourier maps of an untwinned YBa2Cu3O6.877
single crystal by x-ray-diffraction data
_cod_database_code 1008649
_database_code_amcsd 0016537
3.8184 3.8857 11.701 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)
Y1   .5 .5      .5      .00479 .00526 .00610      0      0      0
Ba1  .5 .5 .185580      .00879 .00744 .00889      0      0      0
Cu1   0  0       0      .00818 .00751 .00554      0      0      0
Cu2   0  0  .35588      .00454 .00493 .00929      0      0      0
O1    0  0   .1580       .0121  .0131  .0082      0      0      0
O2   .5  0  .37877       .0051  .0082  .0125      0      0      0
O3    0 .5  .37792       .0074  .0053  .0101      0      0      0
O4    0 .5       0 .877   .027  .0105  .0131      0      0      0