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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/44/8104476.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_8104476
loop_
_publ_author_name
'Eisenmann, B.'
'Hofmann, A.'
_publ_section_title
;
 Crystal structure of sodium phyllo-diselenidoaluminate
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              171
_journal_page_last               172
_journal_volume                  197
_journal_year                    1991
_chemical_formula_sum            'Al Na Se2'
_chemical_name_systematic        'Na (Al Se2)'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 100.9
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   10.72
_cell_length_b                   10.708
_cell_length_c                   14.126
_cell_volume                     1592.266
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Eisenmann_ZEKRDZ_1991_1463.cif
_cod_data_source_block           Al1Na1Se2
_cod_original_formula_sum        'Al1 Na1 Se2'
_cod_database_code               8104476
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-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
Al2 Al+3 0.1478 0.4357 0.348 1 0.0
Na1 Na+1 0.4664 0.3128 0.1195 1 0.0
Na2 Na+1 0.2825 0.061 0.378 1 0.0
Al1 Al+3 0.0992 0.1877 0.152 1 0.0
Se4 Se-2 0.2563 0.3148 0.2502 1 0.0
Se2 Se-2 0 0.5679 0.25 1 0.0
Se3 Se-2 0.2 0.0627 0.0504 1 0.0
Se5 Se-2 0.0505 0.3119 0.4528 1 0.0
Se1 Se-2 0 0.051 0.25 1 0.0
