#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/65/1526548.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_1526548
loop_
_publ_author_name
'Karen, P.'
'Kjekshus, A.'
'Karen, V.'
'Huang, Q.'
'Mighell, A.D.'
'Santoro, A.'
_publ_section_title
;
 Neutron powder diffraction study of the crystal structure of the
 oxycarbonate phase Y Ba2 Cu2.85 (C O3)0.15 O6.73
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              279
_journal_page_last               286
_journal_volume                  336
_journal_year                    2000
_chemical_formula_sum            'C0.144 Ba2 Cu2.85 O7.162 Y'
_chemical_name_systematic        'Y Ba2 Cu2.85 (C O3)0.144 O6.73'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8717
_cell_length_b                   3.8717
_cell_length_c                   11.607
_cell_volume                     173.990
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Karen_PHYCE6_2000_426.cif
_cod_data_source_block           C0.144Ba2Cu2.85O7.162Y1
_cod_original_cell_volume        173.9896
_cod_original_formula_sum        'C0.144 Ba2 Cu2.85 O7.162 Y1'
_cod_database_code               1526548
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
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
Y1 Y+3 0.5 0.5 0.5 1 0.0
O2 O-2 0 0 0.192 0.15 0.0
O3 O-2 0 0.5 0.376 1 0.0
O1 O-2 0 0 0.154 0.85 0.0
Cu1 Cu+2 0 0 0 0.85 0.0
Cu2 Cu+2 0 0 0.3544 1 0.0
O4 O-2 0.5 0 0 0.44 0.0
C1 C+4 0.123 0 0 0.036 0.0
Ba1 Ba+2 0.5 0.5 0.1809 1 0.0
O5 O-2 0.087 0.305 0 0.036 0.0
