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#$Date: 2015-09-05 14:43:52 +0300 (Sat, 05 Sep 2015) $
#$Revision: 154489 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/98/1529838.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_1529838
loop_
_publ_author_name
'd'Yvoire, F.'
'Bretey, E.'
'Collin, G.'
_publ_section_title
;
 Crystal structure, non-stoichiometry and conductivity of II-Na3 M2 (As
 O4)3 (M= Al, Ga, Cr, Fe)
;
_journal_name_full               'Solid State Ionics'
_journal_page_first              1259
_journal_page_last               1264
_journal_volume                  28
_journal_year                    1988
_chemical_formula_sum            'As3 Fe2 Na3 O12'
_chemical_name_systematic        'Na3 Fe2 (As O4)3'
_space_group_IT_number           167
_symmetry_space_group_name_Hall  '-R 3 2"c'
_symmetry_space_group_name_H-M   'R -3 c :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            12
_cell_length_a                   13.698
_cell_length_b                   13.698
_cell_length_c                   18.59
_cell_volume                     3020.817
_citation_journal_id_ASTM        SSIOD3
_cod_data_source_file            dYvoire_SSIOD3_1988_1691.cif
_cod_data_source_block           As3Fe2Na3O12
_cod_original_cell_volume        3020.816
_cod_database_code               1529838
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z+1/2
-x,-x+y,-z+1/2
x-y,-y,-z+1/2
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z-1/2
x,x-y,z-1/2
-x+y,y,z-1/2
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+5/6
-x+2/3,-x+y+1/3,-z+5/6
x-y+2/3,-y+1/3,-z+5/6
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z-1/6
x+2/3,x-y+1/3,z-1/6
-x+y+2/3,y+1/3,z-1/6
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+7/6
-x+1/3,-x+y+2/3,-z+7/6
x-y+1/3,-y+2/3,-z+7/6
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+1/6
x+1/3,x-y+2/3,z+1/6
-x+y+1/3,y+2/3,z+1/6
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
Fe1 Fe+3 0 0 0.25 1 0.0
As1 As+5 0.18175 -0.01267 0.1458 1 0.0
Na2 Na+1 0.7867 0.0107 0.0489 0.83 0.0
Fe2 Fe+3 0.77267 0 0.25 1 0.0
Na1 Na+1 0 0 0 1 0.0
O3 O-2 0.5965 0.1938 0.0243 1 0.0
O4 O-2 0.0233 0.1612 0.0629 1 0.0
O1 O-2 0.5271 0.062 0.1469 1 0.0
O2 O-2 0.7156 0.0586 0.1784 1 0.0
