#------------------------------------------------------------------------------
#$Date: 2015-09-28 16:16:07 +0300 (Mon, 28 Sep 2015) $
#$Revision: 158662 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/27/1532703.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_1532703
loop_
_publ_author_name
'Bramnik, K.G.'
'Muessig, E.'
'Ehrenberg, H.'
_publ_section_title
;
 Preparation, crystal structure and magnetic studies of Na3 Fe2 Mo5 O16, a
 new oxide containing Mo3 O13 clusters
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              192
_journal_page_last               197
_journal_volume                  176
_journal_year                    2003
_chemical_formula_sum            'Fe2 Mo5 Na3 O16'
_chemical_name_systematic        'Na3 Fe2 Mo5 O16'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   5.7366
_cell_length_b                   5.7366
_cell_length_c                   22.038
_cell_volume                     628.076
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Bramnik_JSSCBI_2003_229.cif
_cod_data_source_block           Fe2Mo5Na3O16
_cod_original_cell_volume        628.0756
_cod_database_code               1532703
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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
Na3 Na+1 0.6667 0.3333 0.3871 1 0.0
Mo2 Mo+6 0.6667 0.3333 0.06459 1 0.0
O5 O-2 0.6667 0.3333 0.9861 1 0.0
O8 O-2 0.8362 0.1638 0.0891 1 0.0
O7 O-2 0.8417 0.1583 0.5853 1 0.0
Fe1 Fe+3 0 0 0.648 1 0.0
Na1 Na+1 0 0 0 1 0.0
O6 O-2 0.6667 0.3333 0.2097 1 0.0
Mo3 Mo+3 0.4825 0.965 0.25603 1 0.0
O2 O-2 0.6667 0.3333 0.6801 1 0.0
Mo1 Mo+6 0.6667 0.3333 0.5678 1 0.0
O3 O-2 0.6662 0.8331 0.6953 1 0.0
Fe2 Fe+3 0 0 0.1486 1 0.0
Na4 Na+1 0.6667 0.3333 0.8837 1 0.0
O4 O-2 0.3364 0.1682 0.7992 1 0.0
Na2 Na+1 0 0 0.5 1 0.0
O1 O-2 0.6667 0.3333 0.49 1 0.0