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#$Date: 2015-10-09 15:06:45 +0300 (Fri, 09 Oct 2015) $
#$Revision: 161906 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/48/1534861.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_1534861
loop_
_publ_author_name
'Shpanchenko, R.V.'
'Antipov, E.V.'
'Kovba, L.M.'
_publ_section_title
;
 Ba2ZrO4 and its crystalline hydrates
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              599
_journal_page_last               605
_journal_volume                  38
_journal_year                    1993
_chemical_formula_sum            'Ba2 O4 Zr'
_chemical_name_systematic        'Ba2 Zr O4'
_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                   4.2045
_cell_length_b                   4.2045
_cell_length_c                   13.587
_cell_volume                     240.189
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Shpanchenko_ZNOKAQ_1993_1357.cif
_cod_data_source_block           Ba2O4Zr1
_cod_original_cell_volume        240.1886
_cod_chemical_formula_sum_orig   'Ba2 O4 Zr1'
_cod_database_code               1534861
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
O2 O-2 0 0 0.172 1 0.0
Ba1 Ba+2 0 0 0.3524 1 0.0
Zr1 Zr+4 0 0 0 1 0.0
O1 O-2 0 0.5 0 1 0.0