#------------------------------------------------------------------------------
#$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: svn://www.crystallography.net/cod/cif/2/2006890.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2006890
_journal_name_full  'Acta Crystallographica'
_journal_year  1997
_journal_volume  C53
_journal_page_first  1729
_journal_page_last  1730
_publ_section_title
;
YBaCu~1.10~Co~0.90~O~5~, Prepared from
 YBa~2~Cu~3~O~7~
;
loop_
_publ_author_name
  'Gainsford, Graeme J.'
  'Tallon, J. L.'
  'Lin, C.T.'
_chemical_formula_moiety  'Ba Co0.904 Cu1.096 O5 Y'
_chemical_formula_sum  'Ba Co0.90 Cu1.10 O5 Y'
_chemical_formula_structural  'Ba Co0.904 Cu1.096 O5 Y'
_chemical_formula_weight  429.18
_symmetry_cell_setting  Tetragonal
_symmetry_space_group_name_H-M  'P 4/m m m'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-y, x, z'
  '-x, -y, z'
  'y, -x, z'
  '-x, y, z'
  'y, x, z'
  'x, -y, z'
  '-y, -x, z'
  '-x, -y, -z'
  'y, -x, -z'
  'x, y, -z'
  '-y, x, -z'
  'x, -y, -z'
  '-y, -x, -z'
  '-x, y, -z'
  'y, x, -z'
_cell_length_a  3.8827(10)
_cell_length_b  3.8827(10)
_cell_length_c  7.546(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.00
_cell_angle_gamma  90.00
_cell_volume  113.75(5)
_cell_formula_units_Z  1
_cell_measurement_temperature  124(2)
_exptl_crystal_density_diffrn  6.265
_diffrn_ambient_temperature  124(2)
_refine_ls_R_factor_obs  .0280
_refine_ls_wR_factor_obs  .0640
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
  Ba  .5000  .5000  .0000  .01124(15) Uani d S 1 . Ba
  Y  .5000  .5000  .5000  .00696(15) Uani d S 1 . Y
  Cu1  .0000  .0000  .73395(12)  .0134(2) Uani d SP  .55(3) . Cu
  Co1  .0000  .0000  .73395(12)  .0134(2) Uani d SP  .45(3) . Co
  O1  .0000  .0000  .0000  .0132(8) Uani d S 1 . O
  O2  .5000  .0000  .6871(4)  .0101(4) Uani d S 1 . O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Ba  .0074(3)  .008  .0184(2)  .000  .000  .000
  Y  .0061(4)  .007  .0078(2)  .000  .000  .000
  Cu1  .0069(2)  .0069(2)  .0263(4)  .000  .000  .000
  Co1  .0069(2)  .0069(2)  .0263(4)  .000  .000  .000
  O1  .0052(19)  .016  .018(2)  .000  .000  .000
  O2  .0072(8)  .0089(8)  .0144(9)  .000  .000  .000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Ba O1 1_665 2.7455(7) N
  Ba O1 . 2.7455(7) Y
  Ba O1 1_565 2.7455(7) N
  Ba O1 1_655 2.7455(7) N
  Ba O2 10_666 3.057(2) N
  Ba O2 2_554 3.057(2) N
  Ba O2 9_666 3.057(2) N
  Ba O2 1_554 3.057(2) N
  Ba O2 10_566 3.057(2) N
  Ba O2 2_654 3.057(2) N
  Ba O2 9_656 3.057(2) N
  Ba O2 1_564 3.057(2) Y
  Y O2 10_566 2.4002(16) N
  Y O2 2_655 2.4002(16) N
  Y O2 9_656 2.4002(16) N
  Y O2 1_565 2.4002(16) N
  Y O2 . 2.4002(16) Y
  Y O2 2 2.4002(16) N
  Y O2 10_666 2.4002(16) N
  Y O2 9_666 2.4002(16) N
  Y Cu1 9_556 3.2641(8) N
  Y Cu1 1_665 3.2641(8) N
  Y Cu1 9_666 3.2641(8) N
  Y Cu1 1_565 3.2641(8) N
  Cu1 O2 1_455 1.9733(7) N
  Cu1 O2 2_545 1.9733(7) N
  Cu1 O2 2 1.9733(7) N
  Cu1 O2 . 1.9733(7) Y
  Cu1 O1 1_556 2.0075(10) Y
  Cu1 Y 1_445 3.2641(8) N
  Cu1 Y 1_455 3.2641(8) N
  Cu1 Y 1_545 3.2641(8) N
  Cu1 Ba 1_556 3.4012(8) N
  Cu1 Ba 1_546 3.4012(8) N
  Cu1 Ba 1_446 3.4012(8) N
  O1 Cu1 9_556 2.0075(10) N
  O1 Cu1 1_554 2.0075(10) N
  O1 Ba 1_445 2.7455(7) N
  O1 Ba 1_545 2.7455(7) N
  O1 Ba 1_455 2.7455(7) N
  O2 Cu1 1_655 1.9733(7) N
  O2 Y 1_545 2.4002(16) N
  O2 Ba 1_556 3.057(2) N
  O2 Ba 1_546 3.057(2) N