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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/18/1521855.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_1521855
loop_
_publ_author_name
'Roennebro, E.'
'Noreus, D.'
'Bogdanovic, B.'
'Reiser, A.'
'Kadir, K.'
_publ_section_title
;
 Investigation of the perovskite related structures of Na Mg H3, Na Mg F3
 and Na3 Al H6
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              101
_journal_page_last               106
_journal_volume                  299
_journal_year                    2000
_chemical_formula_sum            'Al D6 Na3'
_chemical_name_systematic        'Na3 Al D6'
_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                 89.86
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   5.39
_cell_length_b                   5.514
_cell_length_c                   7.725
_cell_volume                     229.590
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Roennebro_JALCEU_2000_1291.cif
_cod_data_source_block           D6Al1Na3
_cod_original_cell_volume        229.5899
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_original_formula_sum        'D6 Al1 Na3'
_cod_database_code               1521855
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
Na1 Na+1 0 0 0.5 1 0.0
Na2 Na+1 -0.006 0.461 0.252 1 0.0
D2 D-1 0.234 0.328 0.544 1 0.0
D1 D-1 0.091 0.041 0.215 1 0.0
Al1 Al+3 0 0 0 1 0.0
D3 D-1 0.165 0.266 0.944 1 0.0
