#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/59/1525970.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_1525970
loop_
_publ_author_name
'Maury, F.'
'Nicolas-Francillon, M.'
'Bouree, F.'
'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 Cu2.88 Li0.12 O6.01 Y'
_chemical_name_systematic        'Y Ba2 Cu2.88 Li0.12 O6.01'
_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                   3.8595
_cell_length_b                   3.8595
_cell_length_c                   11.8137
_cell_volume                     175.974
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Maury_PHYCE6_2000_410.cif
_cod_data_source_block           Ba2Cu2.88Li0.12O6.01Y1
_cod_original_cell_volume        175.9738
_cod_original_formula_sum        'Ba2 Cu2.88 Li0.12 O6.01 Y1'
_cod_database_code               1525970
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
O2 O-2 0.5 0 0.3789 1 0.0
O1 O-2 0 0 0.1522 0.96 0.0
Cu1 Cu+1 0 0 0 0.98 0.0
Ba1 Ba+2 0.5 0.5 0.1954 1 0.0
Li1 Li+1 0 0 0 0.02 0.0
Li2 Li+1 0 0 0.3621 0.05 0.0
O3 O-2 0.085 0.5 0 0.022 0.0
Cu2 Cu+1 0 0 0.3621 0.95 0.0
Y1 Y+3 0.5 0.5 0.5 1 0.0
