#------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/88/1008832.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_1008832
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     'Sr Tb2 Fe2 O7'
_chemical_formula_sum            'Fe2 O7 Sr Tb2'
_chemical_name_systematic        'Strontium diterbium diiron(III) oxide'
_space_group_IT_number           136
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.5065
_cell_length_b                   5.5065
_cell_length_c                   19.659
_cell_volume                     596.1
_refine_ls_R_factor_all          0.02
_cod_database_code               1008832
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2+z
-x,-y,-z
x,y,-z
1/2-x,1/2+y,1/2-z
1/2+x,1/2-y,1/2-z
y,x,z
-y,-x,z
1/2-y,1/2+x,1/2+z
1/2+y,1/2-x,1/2+z
-y,-x,-z
y,x,-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
Sr1 Sr2+ 4 f 0.264(2) 0.264(2) 0. 1. 0 d
Tb1 Tb3+ 8 j 0.276(1) 0.276(1) 0.1823(3) 1. 0 d
Fe1 Fe3+ 8 j 0.248(4) 0.248(4) 0.4006(9) 1. 0 d
O1 O2- 4 g 0.784(16) 0.784(16) 0.5 1. 0 d
O2 O2- 8 j 0.207(9) 0.207(9) 0.285(3) 1. 0 d
O3 O2- 8 h 0. 0.5 0.126(4) 1. 0 d
O4 O2- 4 e 0. 0. 0.108(9) 1. 0 d
O5 O2- 4 e 0. 0. 0.408(9) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Tb3+ 3.000
Fe3+ 3.000
O2- -2.000
