#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/22/4002219.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_4002219
loop_
_publ_author_name
'Alonso, J.A.'
'Casais, M.T.'
'Velasco, P.'
'Martinez-Lopez, M.J.'
'Martinez, J.L.'
'Munoz, A.'
'Fernandez-Diaz, M.T.'
_publ_section_title
;
 Preparation, crystal structure, and magnetic and magnetotransport
 properties of the double perovskite Ca2 Fe Mo O6
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              161
_journal_page_last               168
_journal_volume                  12
_journal_year                    2000
_chemical_formula_sum            'Ca2 Fe Mo O6'
_chemical_name_systematic        'Ca2 (Fe Mo O6)'
_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                 89.969
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.415
_cell_length_b                   5.5224
_cell_length_c                   7.7066
_cell_volume                     230.457
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Alonso_CMATEX_2000_1026.cif
_cod_data_source_block           Ca2Fe1Mo1O6
_cod_original_cell_volume        230.4566
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'Ca2 Fe1 Mo1 O6'
_cod_database_code               4002219
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
O2 O-2 0.697 0.288 0.041 1 0.0
Mo1 Mo+6 0.5 0 0 1 0.0
Ca1 Ca+2 0.9912 0.0454 0.251 1 0.0
Fe1 Fe+2 0.5 0 0.5 1 0.0
O3 O-2 0.21 0.201 0.958 1 0.0
O1 O-2 0.08 0.4777 0.2535 1 0.0
