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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/1/53/27/1532737.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_1532737
loop_
_publ_author_name
'Leoni, S.'
'Carrillo-Cabrera, W.'
'Schnelle, W.'
'Grin', Yu.'
_publ_section_title
;
 Ba Al2 Ge2 : synthesis, crystal structure, magnetic and electronic
 properties, chemical bonding and atomistic model of the alpha - beta
 phase transition
;
_journal_name_full               'Solid State Sciences'
_journal_page_first              139
_journal_page_last               148
_journal_volume                  5
_journal_year                    2003
_chemical_formula_sum            'Al2 Ba Ge2'
_chemical_name_systematic        'Ba (Al2 Ge2)'
_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                   10.2105
_cell_length_b                   4.2755
_cell_length_c                   10.987
_cell_volume                     479.637
_citation_journal_id_ASTM        SSSCFJ
_cod_data_source_file            Leoni_SSSCFJ_2003_969.cif
_cod_data_source_block           Al2Ba1Ge2
_cod_original_cell_volume        479.6374
_cod_original_formula_sum        'Al2 Ba1 Ge2'
_cod_database_code               1532737
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
Al2 Al 0.1028 0.25 0.5468 1 0.0
Ba1 Ba 0.2481 0.25 0.82567 1 0.0
Ge1 Ge 0.4761 0.25 0.1569 1 0.0
Ge2 Ge 0.355 0.25 0.5396 1 0.0
Al1 Al 0.044 0.25 0.1176 1 0.0
