#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/38/8103886.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_8103886
loop_
_publ_author_name
'Snyder, G.J.'
'Borrmann, H.'
'Simon, A.'
_publ_section_title
;
 Crystal structure of barium dihydride, Ba H2
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              458
_journal_page_last               458
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'Ba H2'
_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                   6.792
_cell_length_b                   4.168
_cell_length_c                   7.858
_cell_volume                     222.453
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Snyder_ZEKRDZ_1994_1616.cif
_cod_data_source_block           H2Ba1
_cod_original_cell_volume        222.4526
_cod_original_formula_sum        'H2 Ba1'
_cod_database_code               8103886
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
H2 H-1 0.043 0.25 0.174 1 0.0
Ba1 Ba+2 0.26029 0.25 0.88863 1 0.0
H1 H-1 0.646 0.25 0.9135 1 0.0
