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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/37/8103784.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_8103784
loop_
_publ_author_name
'Wang, H.-R.'
'Lee, J.-S.'
'Yu, S.-C.'
_publ_section_title
;
 Synthesis of zoning-free (Ba S O4) - (Pb S O4) solid solution and its
 structural characterizations
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              143
_journal_page_last               148
_journal_volume                  217
_journal_year                    2002
_chemical_formula_sum            'Ba0.977 O4 Pb0.013 S Sr0.01'
_chemical_name_systematic        '(Ba0.977 Pb0.013 Sr0.01) (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   8.482
_cell_length_b                   5.398
_cell_length_c                   6.959
_cell_volume                     318.624
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Wang_ZEKRDZ_2002_1006.cif
_cod_data_source_block           Ba0.977O4Pb0.013S1Sr0.01
_cod_original_cell_volume        318.6236
_cod_original_formula_sum        'Ba0.977 O4 Pb0.013 S1 Sr0.01'
_cod_database_code               8103784
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z+1/2
-x,y+1/2,-z
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z-1/2
x,-y-1/2,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 0.1879 0.25 0.1667 0.977 0.0
O1 O-2 0.306 0.75 0.043 1 0.0
O2 O-2 0.418 0.974 0.309 1 0.0
Sr1 Sr+2 0.1879 0.25 0.1667 0.01 0.0
O3 O-2 0.592 0.75 0.096 1 0.0
S1 S+6 0.4367 0.75 0.1842 1 0.0
Pb1 Pb+2 0.1879 0.25 0.1667 0.013 0.0
