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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/61/1536180.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_1536180
loop_
_publ_author_name
'Joergens, S.'
'Mewis, A.'
'Hoffmann, R.D.'
'Mosel, B.D.'
'Poettgen, R.'
_publ_section_title
;
 Neue Hexachalkogeno-hypodiphosphate der Erdalkalimetalle und des
 Europiums
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              429
_journal_page_last               433
_journal_volume                  629
_journal_year                    2003
_chemical_formula_sum            'Ba2 P2 S6'
_chemical_name_systematic        'Ba2 (P2 S6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90
_cell_angle_beta                 91.17
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.966
_cell_length_b                   7.58
_cell_length_c                   6.737
_cell_volume                     508.822
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Joergens_ZAACAB_2003_817.cif
_cod_data_source_block           Ba2P2S6
_cod_original_cell_volume        508.8222
_cod_original_sg_symbol_Hall     '-P 2ybc (x-z,y,z)'
_cod_database_code               1536180
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z+1/2
-x,-y,-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
P1 P+4 0.06097 0.38621 0.45433 1 0.0
S3 S-2 0.03873 0.20682 0.67397 1 0.0
Ba1 Ba+2 0.25084 0.40736 0.96103 1 0.0
S2 S-2 0.97833 0.29884 0.19614 1 0.0
S1 S-2 0.25108 0.47493 0.43713 1 0.0
