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#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/80/1008088.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_1008088
loop_
_publ_author_name
'Samaras, D'
'Collomb, A'
'Joubert, J C'
_publ_section_title
;
Determination des structures de deux ferrite mixtes nouveaux de formule
Ba La₂ Fe₂ O₇ et Sr Tb₂ Fe₂ O₇
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              337
_journal_page_last               348
_journal_paper_doi               10.1016/0022-4596(73)90142-4
_journal_volume                  7
_journal_year                    1973
_chemical_formula_structural     'BA LA2 FE2 O7'
_chemical_formula_sum            'Ba Fe2 La2 O7'
_chemical_name_systematic        'BARIUM DILANTHANUM DIIRON(III) OXIDE'
_space_group_IT_number           139
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.9335
_cell_length_b                   3.9335
_cell_length_c                   20.853
_cell_volume                     322.6
_refine_ls_R_factor_all          0.039
_cod_database_code               1008088
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x,y,z
x,-y,z
-y,x,z
y,-x,z
y,x,z
-y,-x,z
-x,-y,-z
x,y,-z
x,-y,-z
-x,y,-z
y,-x,-z
-y,x,-z
-y,-x,-z
y,x,-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-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
1/2+y,1/2+x,1/2+z
1/2-y,1/2-x,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+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2-z
1/2-y,1/2-x,1/2-z
1/2+y,1/2+x,1/2-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
Ba1 Ba2+ 2 b 0. 0. 0.5 0.333 0 d
Ba2 Ba2+ 4 e 0. 0. 0.3181(3) 0.333 0 d
La1 La3+ 2 b 0. 0. 0.5 0.667 0 d
La2 La3+ 4 e 0. 0. 0.3181(3) 0.667 0 d
Fe1 Fe3+ 4 e 0. 0. 0.0967(1) 1. 0 d
O1 O2- 2 a 0. 0. 0. 1. 0 d
O2 O2- 8 g 0. 0.5 0.107(5) 1. 0 d
O3 O2- 4 e 0. 0. 0.204(4) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Ba2+ 2.000
La3+ 3.000
Fe3+ 3.000
O2- -2.000
