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#$Date: 2015-10-10 06:14:27 +0300 (Sat, 10 Oct 2015) $
#$Revision: 164637 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/27/7222748.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_7222748
loop_
_publ_author_name
'Emmerling, F.'
'Roehr, C.'
'Zimper, S.'
_publ_section_title
;
 Neue Barium-Oxoantimonate(III): Darstellung und Kristallstruktur von Ba3
 (Sb O3)2 und Ba2 (Sb2 O5)
;
_journal_name_full
;
Zeitschrift fuer Naturforschung, Teil B. Anorganische Chemie, Organische 
Chemie (42,1987-)
;
_journal_page_first              503
_journal_page_last               512
_journal_volume                  59
_journal_year                    2004
_chemical_formula_sum            'Ba2 O5 Sb2'
_chemical_name_systematic        'Ba2 (Sb2 O5)'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   4.01
_cell_length_b                   14.506
_cell_length_c                   6.366
_cell_volume                     370.304
_citation_journal_id_ASTM        ZNBSEN
_cod_data_source_file            Emmerling_ZNBSEN_2004_1433.cif
_cod_data_source_block           Ba2O5Sb2
_cod_original_cell_volume        370.3043
_cod_database_code               7222748
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-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
-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-2 0 0.522 0.25 0.5 0.0
Sb1 Sb+3 0 0.069 0.25 1 0.0
O1 O-2 0 0.1584 0.026 1 0.0
Ba1 Ba+2 0 0.3231 0.25 1 0.0
