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#$Date: 2015-07-12 18:15:24 +0300 (Sun, 12 Jul 2015) $
#$Revision: 147053 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/59/1525966.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_1525966
loop_
_publ_author_name
'Maury, F.'
'Bouree, F.'
'Nicolas-Francillon, M.'
'Ollitrault-Fichet, R.'
'Nanot, M.'
_publ_section_title
;
 Local structural changes in lithium-doped Y Ba2 Cu3 Oy
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              121
_journal_page_last               132
_journal_volume                  333
_journal_year                    2000
_chemical_formula_sum            'Ba2 Cu2.82 Li0.18 O6.77 Y0.98'
_chemical_name_systematic        'Y0.98 Ba2 Cu2.82 Li0.18 O6.77'
_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                   3.8281
_cell_length_b                   3.8871
_cell_length_c                   11.6646
_cell_volume                     173.572
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Maury_PHYCE6_2000_408.cif
_cod_data_source_block           Ba2Cu2.82Li0.18O6.77Y0.98
_cod_original_cell_volume        173.5717
_cod_database_code               1525966
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
Li1 Li+1 0 0 0 0.045 0.0
O5 O-2 0.5 0.04 0 0.019 0.0
Cu1 Cu+2 0 0 0 0.955 0.0
Y1 Y+3 0.5 0.5 0.5 0.98 0.0
Cu2 Cu+2 0 0 0.3567 0.9325 0.0
O1 O-2 0 0 0.1574 0.91 0.0
O4 O-2 0.04 0.5 0 0.456 0.0
Li2 Li+1 0 0 0.3567 0.0675 0.0
O3 O-2 0 0.5 0.378 1 0.0
Ba1 Ba+2 0.5 0.5 0.1863 1 0.0
O2 O-2 0.5 0 0.3772 1 0.0
