#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/86/1528603.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_1528603
loop_
_publ_author_name
'Jandali, M.Z.'
'Eulenberger, G.'
'Hahn, H.'
_publ_section_title
;
 Synthese und Kristallstruktur von Ti P2 S6
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              39
_journal_page_last               44
_journal_volume                  470
_journal_year                    1980
_chemical_formula_sum            'P2 S6 Ti'
_chemical_name_systematic        'Ti (P2 S6)'
_space_group_IT_number           43
_symmetry_space_group_name_Hall  'F 2 -2d'
_symmetry_space_group_name_H-M   'F d d 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.842
_cell_length_b                   7.44
_cell_length_c                   21.535
_cell_volume                     1737.110
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jandali_ZAACAB_1980_38.cif
_cod_data_source_block           P2S6Ti1
_cod_original_cell_volume        1737.11
_cod_original_formula_sum        'P2 S6 Ti1'
_cod_database_code               1528603
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
-x+1/4,y+1/4,z+1/4
x+3/4,-y+3/4,z+1/4
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
-x+1/4,y+3/4,z+3/4
x+3/4,-y+5/4,z+3/4
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
-x+3/4,y+1/4,z+3/4
x+5/4,-y+3/4,z+3/4
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
-x+3/4,y+3/4,z+1/4
x+5/4,-y+5/4,z+1/4
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
S3 S-2 0.7359 0.9938 0.1764 1 0.0
S1 S-2 0.5242 0.7638 0.2715 1 0.0
Ti1 Ti+4 0.25 0.25 0.1001 1 0.0
S2 S-2 0.4728 0.2649 0.1126 1 0.0
P1 P+4 0.5637 0.8843 0.1907 1 0.0
