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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/1/52/18/1521853.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_1521853
loop_
_publ_author_name
'Roennebro, E.'
'Noreus, D.'
'Kadir, K.'
'Reiser, A.'
'Bogdanovic, B.'
_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            'D3 Mg Na'
_chemical_name_systematic        'Na Mg D3'
_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                   5.465
_cell_length_b                   7.694
_cell_length_c                   5.412
_cell_volume                     227.562
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Roennebro_JALCEU_2000_1289.cif
_cod_data_source_block           D3Mg1Na1
_cod_original_cell_volume        227.5622
_cod_original_formula_sum        'D3 Mg1 Na1'
_cod_database_code               1521853
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
Mg1 Mg+2 0 0 0.5 1 0.0
D1 D-1 0.064 0.25 0.483 1 0.0
D2 D-1 0.292 0.04 0.708 1 0.0
Na1 Na+1 0.015 0.25 -0.018 1 0.0
