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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/57/1525799.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_1525799
loop_
_publ_author_name
'Lin, J.'
'Chen, W.-M.'
'Wu, X.-S.'
'Jiang, S.-S.'
_publ_section_title
;
 Crystal structure of La Ba2 Cu3 O7 with Fe-doping
;
_journal_name_full               'Diwen Wuli Xuebao'
_journal_page_first              7
_journal_page_last               14
_journal_volume                  20
_journal_year                    1998
_chemical_formula_sum            'Ba2 Cu1.5 Fe1.5 La O8.24'
_chemical_name_systematic
'La Ba2 (Cu0.18 Fe0.82) (Cu1.32 Fe0.68) O8.24'
_space_group_IT_number           47
_symmetry_space_group_name_Hall  '-P 2 2'
_symmetry_space_group_name_H-M   'P m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   3.9454
_cell_length_b                   3.9454
_cell_length_c                   11.833
_cell_volume                     184.195
_citation_journal_id_ASTM        DWXUES
_cod_data_source_file            Lin_DWXUES_1998_99.cif
_cod_data_source_block           Ba2Cu1.5Fe1.5La1O8.24
_cod_original_cell_volume        184.1946
_cod_original_formula_sum        'Ba2 Cu1.5 Fe1.5 La1 O8.24'
_cod_database_code               1525799
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
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 0.5 0 0.5 0.0
Cu1 Cu+3 0 0 0 0.18 0.0
O1 O-2 0.5 0 0 0.5 0.0
La1 La+3 0.5 0.5 0.5 1 0.0
O3 O-2 0 0 0.146 1 0.0
O5 O-2 0 0.5 0.332 1 0.0
Ba1 Ba+2 0.5 0.5 0.1689 1 0.0
Cu2 Cu+3 0 0 0.326 0.66 0.0
O4 O-2 0.5 0 0.306 1 0.0
O6 O-2 0 0 0.5 1.24 0.0
Fe1 Fe+3 0 0 0 0.82 0.0
Fe2 Fe+3 0 0 0.326 0.34 0.0
