#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/00/22/2002240.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_2002240
loop_
_publ_author_name
'Harder, M'
'Mueller-Buschbaum, Hk'
_publ_section_title
;
Darstellung und Untersuchung von Sr2 Fe2 O5-Einkristallen. Ein Beitrag
zur Kristallchemie von M2 Fe2 O5-Verbindungen
;
_journal_name_full
;
Zeitschrift fuer Anorganische und Allgemeine Chemie
;
_journal_page_first              169
_journal_page_last               175
_journal_paper_doi               10.1002/zaac.19804640115
_journal_volume                  464
_journal_year                    1980
_chemical_formula_structural     'Sr2 Fe2 O5'
_chemical_formula_sum            'Fe2 O5 Sr2'
_chemical_name_systematic        'Distrontium diiron(III) oxide'
_space_group_IT_number           46
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      46
_symmetry_space_group_name_Hall  'I 2 -2b'
_symmetry_space_group_name_H-M   'I b m 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.661
_cell_length_b                   15.598
_cell_length_c                   5.531
_cell_volume                     488.4
_refine_ls_R_factor_all          0.091
_cod_database_code               2002240
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,1/2-y,z
-x,1/2+y,z
1/2+x,1/2+y,1/2+z
1/2-x,1/2-y,1/2+z
1/2+x,-y,1/2+z
1/2-x,y,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+ 8 c 0.0156 0.1097 0.5047 1. 0 d
Fe1 Fe3+ 4 a 0. 0. 0. 1. 0 d
Fe2 Fe3+ 4 b 0.9323 0.25 0.9606 1. 0 d
O1 O2- 8 c 0.262 0.995 0.266 1. 0 d
O2 O2- 8 c 0.056 0.138 0.025 1. 0 d
O3 O2- 4 b 0.853 0.25 0.612 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Sr2+ 2.000
Fe3+ 3.000
O2- -2.000
