#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/10/1521079.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_1521079
loop_
_publ_author_name
'Gingl, F.'
'Vogt, T.'
'Akiba, E.'
_publ_section_title
;
 Trigonal Sr Al2 H2: the first Zintl phase hydride
;
_journal_name_full               'Journal of Alloys Compd.'
_journal_page_first              127
_journal_page_last               132
_journal_volume                  306
_journal_year                    2000
_chemical_formula_sum            'Al2 D2 Sr'
_chemical_name_systematic        'Sr Al2 D2'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.5253
_cell_length_b                   4.5253
_cell_length_c                   4.7214
_cell_volume                     83.733
_citation_journal_id_ASTM        JALCEU
_cod_data_source_file            Gingl_JALCEU_2000_1354.cif
_cod_data_source_block           D2Al2Sr1
_cod_original_cell_volume        83.7329
_cod_original_formula_sum        'D2 Al2 Sr1'
_cod_database_code               1521079
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,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
D1 D-1 0.3333 0.6667 0.0976 1 0.0
Al1 Al 0.3333 0.6667 0.4589 1 0.0
Sr1 Sr+2 0 0 0 1 0.0
