#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/67/1536783.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_1536783
loop_
_publ_author_name
'Radaelli, P.G.'
'Wagner, J.L.'
'Jorgensen, J.D.'
'Hunter, B.A.'
'Schultz, A.J.'
'Chou, F.C.'
'Johnston, D.C.'
_publ_section_title
;
 Structure of the superconducting La2 Cu O4+delta phases (delta=0.08,
 0.12) prepared by electrochemical oxidation
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              499
_journal_page_last               510
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Cu La2 O4.12'
_chemical_name_systematic        'La2 Cu O4.12'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.33794
_cell_length_b                   5.4106
_cell_length_c                   13.2155
_cell_volume                     381.683
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Radaelli_PRBMDO_1993_1891.cif
_cod_data_source_block           Cu1La2O4.12
_cod_original_cell_volume        381.6829
_cod_original_formula_sum        'Cu1 La2 O4.12'
_cod_database_code               1536783
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
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
x,y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,y,-z+1/2
-x+1/2,-y,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
O4 O-2 0.046 0.124 0.187 0.045 0.0
O3 O-2 0.25 0.25 0.25 0.015 0.0
O1 O-2 0.25 0.25 0 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O2 O-2 0 0.029 0.182 0.42 0.0
La1 La+3 0 0 0.3601 1 0.0
