#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/14/1531436.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_1531436
loop_
_publ_author_name
'Hidaka, M.'
'Tanaka, K.'
'Wakimoto, H.'
'Yoshimura, M.'
'Ohba, M.'
'Yamada, K.'
_publ_section_title
;
 Structural phase transition and structural properties in oxygenated La2
 Cu O4+y; y = 0.02
;
_journal_name_full               'Phase Transition'
_journal_page_first              391
_journal_page_last               408
_journal_volume                  74
_journal_year                    2001
_chemical_formula_sum            'Cu La2 O4.02'
_chemical_name_systematic        'La2 Cu O4.02'
_space_group_IT_number           56
_symmetry_space_group_name_Hall  '-P 2ab 2ac'
_symmetry_space_group_name_H-M   'P c c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.3788
_cell_length_b                   5.385
_cell_length_c                   13.139
_cell_volume                     380.569
_citation_journal_id_ASTM        PHTRDP
_cod_data_source_file            Hidaka_PHTRDP_2001_133.cif
_cod_data_source_block           Cu1La2O4.02
_cod_original_formula_sum        'Cu1 La2 O4.02'
_cod_database_code               1531436
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z+1/2
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z-1/2
x,-y-1/2,z-1/2
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
O5 O-2 0.25 0.25 0.279 0.01 0.0
Cu1 Cu+2 0 0 0 1 0.0
La1 La+3 -0.0036 0.0055 0.3614 1 0.0
O3 O-2 0.0181 -0.0279 0.1845 1 0.0
O2 O-2 0.25 0.75 -0.0074 1 0.0
O4 O-2 0.25 0.25 0.244 0.01 0.0
O1 O-2 0.25 0.25 0.0033 1 0.0
