#------------------------------------------------------------------------------
#$Date: 2015-09-18 01:41:23 +0200 (vie 18 de sep de 2015) $
#$Revision: 157411 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/18/1531831.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_1531831
loop_
_publ_author_name
'Liu, G.Y.'
'Rao, G.-H.'
'Feng, X.M.'
'Liu, W.F.'
'Ouyang, Z.W.'
'Yang, H.F.'
'Liang, J.K.'
_publ_section_title
;
 Structural transition and atomic ordering in the non-stoichiometric
 double perovskite Sr2 Fex Mo2-x O6
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              42
_journal_page_last               47
_journal_volume                  353
_journal_year                    2003
_chemical_formula_sum            'Fe1.1 Mo0.9 O6 Sr2'
_chemical_name_systematic        'Sr2 (Fe1.1 Mo0.9) O6'
_space_group_IT_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                   5.5659
_cell_length_b                   5.5659
_cell_length_c                   7.8929
_cell_volume                     244.516
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Liu_JALCEU_2003_1373.cif
_cod_data_source_block           Fe1.1Mo0.9O6Sr2
_cod_original_cell_volume        244.5161
_cod_database_code               1531831
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
Mo2 Mo+5 0 0 0.5 0.8048 0.0
Fe2 Fe+3 0 0 0.5 0.1952 0.0
O1 O-2 0.2538 0.2538 0 1 0.0
Fe1 Fe+3 0 0 0 0.9048 0.0
Sr1 Sr+2 0.5 0 0.25 1 0.0
Mo1 Mo+5 0 0 0 0.0952 0.0
O2 O-2 0 0 0.2465 1 0.0
