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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534040.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_1534040
loop_
_publ_author_name
'Pomjakushin, V.Yu.'
'Rozova, M.G.'
'Balagurov, A.M.'
'Abakumov, A.M.'
'Elzhov, T.V.'
'Yushankhai, V.Yu.'
'Sheptyakov, D.V.'
'Khomskii, D.I.'
'Fischer, P.'
'Antipov, E.V.'
'Lobanov, M.V.'
'Billinge, S.J.L.'
_publ_section_title
;
 Atomic and magnetic structures, disorder effects and unconventional
 superexchange interactions in A2 Mn Ga O5+d (A= Sr, Ca) oxides of layered
 brownmillerite-type structure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              184412-1
_journal_page_last               184412-13
_journal_volume                  66
_journal_year                    2002
_chemical_formula_sum            'Ga Mn O5 Sr2'
_chemical_name_systematic        'Sr2 Ga Mn O5'
_space_group_IT_number           46
_symmetry_space_group_name_Hall  'I 2 -2a'
_symmetry_space_group_name_H-M   'I m a 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.1971
_cell_length_b                   5.5257
_cell_length_c                   5.3863
_cell_volume                     482.076
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Pomjakushin_PRBMDO_2002_617.cif
_cod_data_source_block           Ga1Mn1O5Sr2
_cod_original_cell_volume        482.0756
_cod_original_formula_sum        'Ga1 Mn1 O5 Sr2'
_cod_database_code               1534040
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/2,y,z
x+1/2,-y,z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
-x+1,y+1/2,z+1/2
x+1,-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
O2 O-2 0.1449 0.0419 0.0016 1 0.0
Ga1 Ga+3 0.25 0.9331 0.0363 1 0.0
Sr1 Sr+2 0.1111 0.0118 0.4986 1 0.0
O1 O-2 0.9959 0.2545 0.2504 1 0.0
Mn1 Mn+3 0 0 0 1 0.0
O3 O-2 0.25 0.6259 0.1155 1 0.0
