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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/4/12/40/4124025.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_4124025
loop_
_publ_author_name
'Evans, M.J.'
'Holland, G.P.'
'Haeussermann, U.'
'Garcia-Garcia, F.J.'
_publ_section_title
;
 Polyanionic gallium hydrides from Al B2-type precursors Ae Ga E (Ae = Ca,
 Sr, Ba; E = Si, Ge, Sn)
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12139
_journal_page_last               12147
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'Ba Ga H Sn'
_chemical_name_systematic        'Ba Ga Sn H'
_space_group_IT_number           156
_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                   4.5914
_cell_length_b                   4.5914
_cell_length_c                   5.4257
_cell_volume                     99.055
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Evans_JACSAT_2008_1567.cif
_cod_data_source_block           H1Ba1Ga1Sn1
_cod_original_cell_volume        99.05507
_cod_original_formula_sum        'H1 Ba1 Ga1 Sn1'
_cod_database_code               4124025
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
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
Ga1 Ga 0.6667 0.3333 0.5877 1 0.0
H1 H 0.6667 0.3333 0.9092 1 0.0
Sn1 Sn 0.3333 0.6667 0.4594 1 0.0
Ba1 Ba 0 0 0 1 0.0
