#------------------------------------------------------------------------------
#$Date: 2015-10-07 23:08:27 +0300 (Wed, 07 Oct 2015) $
#$Revision: 160869 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/43/1534308.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_1534308
loop_
_publ_author_name
'Branden, C.I.'
'Lindqvist, I.'
_publ_section_title
;
 The Crystal Structure of ((Ti Cl4) (P O Cl))2
;
_journal_name_full
'Acta Chemica Scandinavica (1-27,1973-42,1988)'
_journal_page_first              726
_journal_page_last               732
_journal_volume                  14
_journal_year                    1960
_chemical_formula_sum            'Cl14 O2 P2 Ti2'
_chemical_name_systematic        '(Ti Cl4 P O Cl3)2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.42
_cell_length_b                   12.76
_cell_length_c                   13.51
_cell_volume                     2141.054
_citation_journal_id_ASTM        ACSAA4
_cod_data_source_file            Branden_ACSAA4_1960_1937.cif
_cod_data_source_block           Cl14O2P2Ti2
_cod_database_code               1534308
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-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
O1 O-2 0.1075 0.4124 0.3564 1 0.0
Cl7 Cl-1 0.1207 0.4706 0.1548 1 0.0
Cl3 Cl-1 0.0098 0.2107 0.4306 1 0.0
P1 P+5 0.1875 0.4353 0.2819 1 0.0
Ti1 Ti+4 0.0629 0.3616 0.4986 1 0.0
Cl2 Cl-1 0.2364 0.3205 0.5231 1 0.0
Cl1 Cl-1 0.1062 0.5507 0.5424 1 0.0
Cl5 Cl-1 0.2852 0.5483 0.313 1 0.0
Cl6 Cl-1 0.2769 0.3103 0.2522 1 0.0
Cl4 Cl-1 0.0092 0.3285 0.6506 1 0.0
