#------------------------------------------------------------------------------
#$Date: 2018-09-27 06:13:35 +0200 (jue 27 de sep de 2018) $
#$Revision: 211196 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/41/8104199.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_8104199
loop_
_publ_author_name
'Frick, F.'
'Jansen, M.'
_publ_section_title
;
 Crystal structure of
 2,4,6,8,10-hexa-1,3,5,7-tetraphosphatricyclo(3.3.1.1)decan
 1,3,5,7-tetrasulfide, O6 P4 S4
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              985
_journal_page_last               985
_journal_volume                  209
_journal_year                    1994
_chemical_formula_sum            'O6 P4 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                   9.099
_cell_length_b                   9.099
_cell_length_c                   13.66
_cell_volume                     1130.936
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Frick_ZEKRDZ_1994_1672.cif
_cod_data_source_block           O6P4S4
_cod_database_code               8104199
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 0.34884 0.04337 0.17603 1 0.0
O2 O-2 0.5 0 0.1197 1 0.0
S1 S-2 0.18764 0.0893 0.09739 1 0.0
O1 O-2 0.33 -0.0927 0.2509 1 0.0
