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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/1/53/94/1539446.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_1539446
loop_
_publ_author_name
'Vannerberg, N.G.'
_publ_section_title
;
 On the system Ba O2 - H2 O - H2 O2 3. The crystal structure of alpha-,
 beta-, and gamma-Ba O2 (H2 O2)2 and Ba O2 H2 O2 (H2 O)2
;
_journal_name_full               'Arkiv foer Kemi'
_journal_page_first              125
_journal_page_last               145
_journal_volume                  14
_journal_year                    1959
_chemical_formula_sum            'Ba H4 O6'
_chemical_name_systematic        'Ba O2 (H2 O2)2'
_space_group_IT_number           15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 95.67
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.18
_cell_length_b                   9.03
_cell_length_c                   6.35
_cell_volume                     466.750
_citation_journal_id_ASTM        ARKEAD
_cod_data_source_file            Vannerberg_ARKEAD_1959_266.cif
_cod_data_source_block           H4Ba1O6
_cod_original_cell_volume        466.7505
_cod_original_formula_sum        'H4 Ba1 O6'
_cod_database_code               1539446
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,-y+1/2,z-1/2
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
O2 O-1 0.315 0.1 0.581 1 0.0
O1 O-1 0.158 0.09 0.658 1 0.0
Ba1 Ba+2 0 0.185 0.25 1 0.0
O3 O-1 0.31 0.21 0.075 1 0.0
