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#$Date: 2014-07-12 00:06:05 +0300 (Sat, 12 Jul 2014) $
#$Revision: 120077 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/11/39/4113940.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_4113940
loop_
_publ_author_name
'Patrick M. Woodward'
'Emmanuelle Suard'
'Pavel Karen'
_publ_section_title
;
 Structural Tuning of Charge, Orbital, and Spin Ordering in Double-Cell
 Perovskite Series between NdBaFe2O5 and HoBaFe2O5
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              8889
_journal_page_last               8899
_journal_volume                  125
_journal_year                    2003
_chemical_formula_sum            Fe
_space_group_IT_number           26
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P -2a 2a'
_symmetry_space_group_name_H-M   'P 21 m a'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   7.948(4)
_cell_length_b                   7.940(9)
_cell_length_c                   15.336(7)
_cell_volume                     967.8(13)
_pd_block_id                     |PHASE_2||
_pd_phase_name                   'YBaFeCuO5 Type Magnetic Structure'
_[local]_cod_data_source_file    ja0348132Bsi20030304_041321_25.cif
_[local]_cod_data_source_block   ND_450K_phase_2
_cod_database_code               4113940
loop_
_symmetry_equiv_pos_as_xyz
+x,+y,+z
+x+1/2,-y,-z
+x,-y,+z
+x+1/2,+y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_thermal_displace_type
_atom_site_U_iso_or_equiv
_atom_site_symmetry_multiplicity
Fe(1a) 0.25 0.25 0.1245 1.0 Uiso 0.00937(16) 4
Fe(2a) 0.75 0.25 0.1245 1.0 Uiso 0.00937(16) 4
Fe(2b) 0.25 0.25 0.3755 1.0 Uiso 0.00937(16) 4
Fe(1b) 0.75 0.25 0.3755 1.0 Uiso 0.00937(16) 4
loop_
_atom_type_symbol
_atom_type_number_in_cell
FE 8.0
FE 8.0
_journal_paper_doi 10.1021/ja034813+