#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/21/2002183.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_2002183
loop_
_publ_author_name
'Grande, B'
'Mueller-Buschbaum, Hk'
'Schweizer, M'
_publ_section_title
;
Zur Kristallstruktur von Seltenerdmetalloxocupraten: La2 Cu O4, Gd2 Cu
O4
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              120
_journal_page_last               124
_journal_paper_doi               10.1002/zaac.19774280116
_journal_volume                  428
_journal_year                    1977
_chemical_formula_structural     'La2 Cu O4'
_chemical_formula_sum            'Cu La2 O4'
_chemical_name_systematic        'Dilanthanum copper oxide'
_space_group_IT_number           64
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      64
_symmetry_space_group_name_Hall  '-A 2ab 2ab'
_symmetry_space_group_name_H-M   'A b m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.406
_cell_length_b                   5.37
_cell_length_c                   13.15
_cell_volume                     381.7
_refine_ls_R_factor_all          0.117
_cod_database_code               2002183
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z
1/2+x,y,1/2-z
1/2-x,y,1/2+z
-x,-y,-z
x,-y,z
1/2-x,-y,1/2+z
1/2+x,-y,1/2-z
x,1/2+y,1/2+z
-x,1/2+y,1/2-z
1/2+x,1/2+y,-z
1/2-x,1/2+y,z
-x,1/2-y,1/2-z
x,1/2-y,1/2+z
1/2-x,1/2-y,z
1/2+x,1/2-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
La1 La3+ 8 f 0.007 0. 0.362 1. 0 d
Cu1 Cu2+ 4 a 0. 0. 0. 1. 0 d
O1 O2- 8 e 0.25 0.25 0.007 1. 0 d
O2 O2- 8 f 0.969 0. 0.187 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+ 3.000
Cu2+ 2.000
O2- -2.000
