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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/18/1521845.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_1521845
loop_
_publ_author_name
'Ritter, C.'
'Ibarra, M.R.'
'Morellon, L.'
'Blasco, J.'
'Garcia, J.'
'de Teresa, J.M.'
_publ_section_title
;
 Structural and magnetic properties of double perovskites A A' Fe Mo O6
 (AA' = Ba2, BaSr, Sr2, Ca)
;
_journal_name_full               'Journal of Physics: Condensed Matter'
_journal_page_first              8295
_journal_page_last               8308
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca2 Fe0.94 Mo1.06 O6'
_chemical_name_systematic        'Ca2 (Fe0.94 Mo0.06) Mo O6.00'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.015
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.4277
_cell_length_b                   5.5221
_cell_length_c                   7.7248
_cell_volume                     231.530
_citation_journal_id_ASTM        JCOMEL
_cod_data_source_file            Ritter_JCOMEL_2000_1484.cif
_cod_data_source_block           Ca2Fe0.94Mo1.06O6
_cod_original_cell_volume        231.53
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1521845
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-z
x-1/2,-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
O1 O-2 0.2907 0.2937 0.9549 1 0.0
Fe1 Fe+3 0.5 0 0 0.94 0.0
Mo1 Mo+4 0.5 0 0 0.06 0.0
Mo2 Mo+4 0 0.5 0 1 0.0
O2 O-2 0.2998 0.2936 0.5388 1 0.0
O3 O-2 0.9217 0.4791 0.7521 1 0.0
Ca1 Ca+2 0.0094 0.0429 0.7479 1 0.0
