#------------------------------------------------------------------------------
#$Date: 2016-02-13 13:50:18 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/8/10/44/8104498.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_8104498
loop_
_publ_author_name
'Eisenmann, B.'
'Hofmann, A.'
_publ_section_title
;
 Crystal structure of hexasodium di-mue-selenidobis(selenidoaluminate)
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              141
_journal_page_last               142
_journal_volume                  197
_journal_year                    1991
_chemical_formula_sum            'Al2 Na6 Se6'
_chemical_name_systematic        'Na6 Al2 Se6'
_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                 90.372
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.499
_cell_length_b                   7.203
_cell_length_c                   13.196
_cell_volume                     712.771
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Eisenmann_ZEKRDZ_1991_1456.cif
_cod_data_source_block           Al2Na6Se6
_cod_original_cell_volume        712.7709
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               8104498
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
Se2 Se-2 0.9277 0.7406 0.2746 1 0.0
Se1 Se-2 0.0776 0.3017 0.4278 1 0.0
Na1 Na+1 0.2764 0.5284 0.2138 1 0.0
Na3 Na+1 0.7958 0.4941 0.1017 1 0.0
Al1 Al+3 0.4192 0.1392 0.0811 1 0.0
Se3 Se-2 0.1259 0.2536 0.0741 1 0.0
Na2 Na+1 0.6608 0.494 0.3887 1 0.0
