#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/69/1526964.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_1526964
loop_
_publ_author_name
'Wu, X.S.'
'Wang, F.Z.'
'Yang, L.'
'Nie, S.'
'Liu, J.S.'
'Jiang, S.S.'
_publ_section_title
;
 Structure and superconductivity in Y Ba2 Cu3 Oy with additives of Na N O3
 and Na Cl
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              129
_journal_page_last               136
_journal_volume                  339
_journal_year                    2000
_chemical_formula_sum            'Ba1.888 Cl0.057 Cu3 Na0.094 O6.961 Y'
_chemical_name_systematic
'Y (Ba1.888 Na0.094 Cl0.018) Cu3 (O6.961 Cl0.039)'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.8858
_cell_length_b                   3.8239
_cell_length_c                   11.6866
_cell_volume                     173.650
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Wu_PHYCE6_2000_436.cif
_cod_data_source_block           Ba1.888Cl0.057Cu3Na0.094O6.961Y1
_cod_original_cell_volume        173.6501
_cod_original_formula_sum        'Ba1.888 Cl0.057 Cu3 Na0.094 O6.961 Y1'
_cod_database_code               1526964
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,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
Cu1 Cu+2 0 0 0 1 0.0
O2 O-2 0.5 0 0 0.5 0.0
O1 O-2 0 0.5 0 0.461 0.0
Cl2 Cl-1 0 0.5 0 0.039 0.0
O5 O-2 0 0.5 0.3647 1 0.0
Ba1 Ba+2 0.5 0.5 0.1833 0.944 0.0
Cu2 Cu+2 0 0 0.3585 1 0.0
Na1 Na+1 0.5 0.5 0.1833 0.047 0.0
O3 O-2 0 0 0.1721 1 0.0
Cl1 Cl-1 0.5 0.5 0.1833 0.009 0.0
Y1 Y+3 0.5 0.5 0.5 1 0.0
O4 O-2 0.5 0 0.3804 1 0.0
