#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/14/1521430.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_1521430
loop_
_publ_author_name
'Koenigstein, M.'
_publ_section_title
;
 Structural properties of nonstoichiometric barium and strontium
 peroxides: Ba O2-x (1.97>2-x>1.72) and Sr O2-x (1.98>2-x>1.90)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              478
_journal_page_last               484
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Ba O1.68'
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   3.8085
_cell_length_b                   3.8085
_cell_length_c                   6.6986
_cell_volume                     97.161
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Koenigstein_JSSCBI_1999_341.cif
_cod_data_source_block           Ba1O1.68
_cod_original_formula_sum        'Ba1 O1.68'
_cod_database_code               1521430
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1/2
y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z+1/2
-y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,z+1/2
y+1/2,x+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
O1 O-1 0 0 0.3904 0.7856 0.0
Ba1 Ba+2 0 0 0 1 0.0
O2 O-2 0 0 0.5 0.1104 0.0
