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#$Date: 2015-10-10 04:54:51 +0200 (Sat 10 de Oct de 2015) $
#$Revision: 164545 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104144.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_8104144
loop_
_publ_author_name
'Klepp, K.O.'
'Sparlinek, W.'
_publ_section_title
;
 Crystal structure of trisodium tetraseleno diferrate, Na3 Fe2 Se4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              626
_journal_page_last               626
_journal_volume                  211
_journal_year                    1996
_chemical_formula_sum            'Fe2 Na3 Se4'
_chemical_name_systematic        'Na3 (Fe2 Se4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.902
_cell_length_b                   10.994
_cell_length_c                   11.127
_cell_volume                     844.323
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Klepp_ZEKRDZ_1996_1894.cif
_cod_data_source_block           Fe2Na3Se4
_cod_original_cell_volume        844.3233
_cod_database_code               8104144
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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
Se3 Se-2 0.1767 0.55775 0.37317 1 0.0
Na2 Na+1 0.0501 0.4174 0.1405 1 0.0
Fe1 Fe+2 0.0476 0.3787 0.4683 1 0.0
Se2 Se-2 0.3764 0.25 0.1691 1 0.0
Na1 Na+1 0.074 0.25 0.7601 1 0.0
Se1 Se-2 0.3068 0.25 0.5398 1 0.0
