#------------------------------------------------------------------------------
#$Date: 2015-10-13 01:10:09 +0300 (Tue, 13 Oct 2015) $
#$Revision: 166933 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/83/1538399.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_1538399
loop_
_publ_author_name
'Mijlhoff, F.C.'
'Portheine, J.C.'
'Romers, C.'
_publ_section_title
;
 The crystal structure of tetragonal P4 O6 S4
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              257
_journal_page_last               262
_journal_volume                  86
_journal_year                    1967
_chemical_formula_sum            'O6 P4 S4'
_chemical_name_systematic        'P4 O6 S4'
_space_group_IT_number           120
_symmetry_space_group_name_Hall  'I -4 -2c'
_symmetry_space_group_name_H-M   'I -4 c 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.065
_cell_length_b                   9.065
_cell_length_c                   13.55
_cell_volume                     1113.461
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Mijlhoff_RTCPA3_1967_1642.cif
_cod_data_source_block           O6P4S4
_cod_database_code               1538399
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
-x,y,z+1/2
y,x,-z+1/2
x,-y,z+1/2
-y,-x,-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
y+1/2,x+1/2,-z+1
x+1/2,-y+1/2,z+1
-y+1/2,-x+1/2,-z+1
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+5 0.1515 0.0433 -0.0734 1 0.0
O1 O-2 0.0937 0.1699 -0.0015 1 0.0
O2 O-2 0 0 0.129 1 0.0
S1 S-2 0.3129 0.0903 -0.1532 1 0.0
