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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/68/1536822.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_1536822
loop_
_publ_author_name
'Falter, C.'
'Klenner, M.'
'Chen, Q.'
_publ_section_title
;
 Role of bonding, reduced screening, and structure in the hightemperature
 superconductors
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              16690
_journal_page_last               16706
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Cu La2 O4'
_chemical_name_systematic        'La2 (Cu O4)'
_space_group_IT_number           64
_symmetry_space_group_name_Hall  '-C 2ac 2 (z,x,y)'
_symmetry_space_group_name_H-M   'C m c a (c,a,b)'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.624
_cell_length_b                   5.714
_cell_length_c                   12.198
_cell_volume                     391.989
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Falter_PRBMDO_1993_1893.cif
_cod_data_source_block           Cu1La2O4
_cod_original_cell_volume        391.9893
_cod_original_sg_symbol_H-M      'A b m a'
_cod_chemical_formula_sum_orig   'Cu1 La2 O4'
_cod_database_code               1536822
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y+1/2,-z
-x,y,-z
-x+1/2,-y+1/2,z
-x,-y,-z
-x-1/2,y-1/2,z
x,-y,z
x-1/2,y-1/2,-z
x,y+1/2,z+1/2
x+1/2,-y+1,-z+1/2
-x,y+1/2,-z+1/2
-x+1/2,-y+1,z+1/2
-x,-y+1/2,-z+1/2
-x-1/2,y,z+1/2
x,-y+1/2,z+1/2
x-1/2,y,-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
La1 La+3 0.0145 0 0.349 1 0.0
O1 O-2 0.25 0.25 0.06 1 0.0
Cu1 Cu+2 0 0 0 1 0.0
O2 O-2 0.865 0 0.183 1 0.0