#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/89/1528936.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_1528936
loop_
_publ_author_name
'Treiber, U.'
'Kemmler-Sack, S.'
_publ_section_title
;
 Strukturuntersuchengen an Ba2 Zr0.75 Sb O6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              103
_journal_page_last               108
_journal_volume                  470
_journal_year                    1980
_chemical_formula_sum            'Ba2 O6 Sb Zr0.75'
_chemical_name_systematic        'Ba2 Zr0.75 Sb O6'
_space_group_IT_number           123
_symmetry_space_group_name_Hall  '-P 4 2'
_symmetry_space_group_name_H-M   'P 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   11.685
_cell_length_b                   11.685
_cell_length_c                   16.606
_cell_volume                     2267.370
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Treiber_ZAACAB_1980_40.cif
_cod_data_source_block           Ba2O6Sb1Zr0.75
_cod_original_cell_volume        2267.371
_cod_original_formula_sum        'Ba2 O6 Sb1 Zr0.75'
_cod_database_code               1528936
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
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 0.25 0 0.125 1 0.0
O14 O-2 0.25 0.25 0.375 1 0.0
Sb5 Sb+5 0.25 0.25 0.5 1 0.0
Zr3 Zr+4 0 0.5 0 1 0.0
Zr1 Zr+4 0 0 0.5 1 0.0
O8 O-2 0.375 0.375 0 1 0.0
O7 O-2 0.125 0.125 0 1 0.0
O5 O-2 0 0.5 0.125 1 0.0
O11 O-2 0.125 0.675 0 1 0.0
O12 O-2 0.125 0.675 0.5 1 0.0
Ba2 Ba+2 0.25 0 0.375 1 0.0
Sb4 Sb+5 0.25 0.25 0 1 0.0
Sb3 Sb+5 0 0.5 0.25 1 0.0
Sb2 Sb+5 0.5 0.5 0.25 1 0.0
O2 O-2 0 0 0.375 1 0.0
O16 O-2 0.375 0.375 0.75 1 0.0
O17 O-2 0.125 0.675 0.25 1 0.0
O6 O-2 0 0.5 0.375 1 0.0
O13 O-2 0.25 0.25 0.125 1 0.0
O15 O-2 0.125 0.125 0.25 1 0.0
Ba3 Ba+2 0.25 0.5 0.125 1 0.0
O10 O-2 0.375 0.375 0.5 1 0.0
O1 O-2 0 0 0.125 1 0.0
Zr4 Zr+4 0.25 0.25 0.25 1 0.0
Zr2 Zr+4 0.5 0.5 0.5 1 0.0
O3 O-2 0.5 0.5 0.125 1 0.0
Ba4 Ba+2 0.25 0.5 0.375 1 0.0
O9 O-2 0.125 0.125 0.5 1 0.0
O4 O-2 0.5 0.5 0.375 1 0.0
Sb1 Sb+5 0 0 0.25 1 0.0
