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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/17/1521719.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_1521719
loop_
_publ_author_name
'Pardo, H.'
'Negreira, C.A.'
'Ortiz, W.A.'
'Toby, B.'
'Suescun, L.'
'Araujo-Moreira, F.M.'
'Mombru, A.W.'
'Quagliata, E.'
'Prassides, K.'
_publ_section_title
;
 A new structure in the RE Ba Cu Fe O5+d series: La Ba Cu Fe O5+d.
 Structure and magnetic properties in the La1-x Prx Ba Cu Fe O5+d system
;
_journal_name_full               'Physica C (Amsterdam)'
_journal_page_first              105
_journal_page_last               114
_journal_volume                  313
_journal_year                    1999
_chemical_formula_sum            'Ba Cu Fe La O5.5'
_chemical_name_systematic        'La Ba Fe Cu O5.5'
_space_group_IT_number           71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.5586
_cell_length_b                   5.555
_cell_length_c                   7.8155
_cell_volume                     241.327
_citation_journal_id_ASTM        PHYCE6
_cod_data_source_file            Pardo_PHYCE6_1999_590.cif
_cod_data_source_block           Ba1Cu1Fe1La1O5.5
_cod_original_cell_volume        241.3272
_cod_original_formula_sum        'Ba1 Cu1 Fe1 La1 O5.5'
_cod_database_code               1521719
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+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-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
Fe1 Fe+3 0 0 0.5 1 0.0
Cu1 Cu+3 0 0 0 1 0.0
Ba1 Ba+2 0 0.5 0.242 0.5 0.0
O1 O-2 0 0 0.257 0.75 0.0
O2 O-2 0.251 0.253 0 1 0.0
La1 La+3 0 0.5 0.251 0.5 0.0
