#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/54/00/1540010.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_1540010
loop_
_publ_author_name
'von Schnering, H.G.'
'Hoppe, R.'
'Zemann, J.'
_publ_section_title
;
 Die Kristallstruktur des Ba Zn O2
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              241
_journal_page_last               254
_journal_volume                  305
_journal_year                    1960
_chemical_formula_sum            'Ba O2 Zn'
_chemical_name_systematic        'Ba Zn O2'
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.886
_cell_length_b                   5.886
_cell_length_c                   6.734
_cell_volume                     202.043
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            vonSchnering_ZAACAB_1960_799.cif
_cod_data_source_block           Ba1O2Zn1
_cod_original_cell_volume        202.0432
_cod_original_formula_sum        'Ba1 O2 Zn1'
_cod_database_code               1540010
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z+1/3
-x+y,-x,z+2/3
y,x,-z
-x,-x+y,-z+1/3
x-y,-y,-z+2/3
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
Ba1 Ba+2 0.347 0 0.3333 1 0.0
O1 O-2 0.698 0.118 0.04 1 0.0
Zn1 Zn+2 0.418 0 0.8333 1 0.0
