#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/2/02/03/2020363.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2020363
loop_
_publ_author_name
'Rosseinsky, M.J.'
'Prassides, K.'
_publ_section_title
;
 Time-of-flight powder neutron diffraction study of the structure
 ofBa2PbO4
;
_journal_name_full               'Acta Crystallographica C (39,1983-)'
_journal_page_first              2519
_journal_page_last               2522
_journal_volume                  47
_journal_year                    1991
_chemical_formula_sum            'Ba2 O4 Pb'
_chemical_name_systematic        'Ba2 Pb 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                   4.2965
_cell_length_b                   4.2965
_cell_length_c                   13.2285
_cell_volume                     244.197
_citation_journal_id_ASTM        ACSCEE
_cod_data_source_file            Rosseinsky_ACSCEE_1991_1597.cif
_cod_data_source_block           Ba2O4Pb1
_cod_original_formula_sum        'Ba2 O4 Pb1'
_cod_database_code               2020363
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 0.5 0 1 0.0
Pb1 Pb+4 0 0 0 1 0.0
Ba1 Ba+2 0 0 0.3554 1 0.0
O1 O-2 0 0 0.1619 1 0.0
