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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/4/34/41/4344146.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_4344146
loop_
_publ_author_name
'Zhang, Q.-A.'
'Nakamura, Y.'
'Oikawa, K.I.'
'Kamiyama, T.'
'Akiba, E.'
_publ_section_title
;
 New alkaline earth aluminium hydride with one-dimensional zigzag chains
 of (Al H6): synthesis and crystal structure of Ba Al H5
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6941
_journal_page_last               6943
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'Al Ba D5'
_chemical_name_systematic        'Ba Al D5'
_space_group_IT_number           33
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.19
_cell_length_b                   7.0399
_cell_length_c                   5.107
_cell_volume                     330.406
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Zhang_INOCAJ_2002_305.cif
_cod_data_source_block           D5Al1Ba1
_cod_original_cell_volume        330.4059
_cod_original_formula_sum        'D5 Al1 Ba1'
_cod_database_code               4344146
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
-x+1/2,y+1/2,z+1/2
x+1/2,-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
Al1 Al+3 0.051 0.843 0.234 1 0.0
Ba1 Ba+2 0.6851 0.15 0.25 1 0.0
