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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/07/1540763.cif $
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#
# 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_1540763
loop_
_publ_author_name
'Zhang, J.'
'Corbett, J.D.'
_publ_section_title
;
 Synthesis and Structure of the Novel Layered Phase CsTi2Cl7
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              36
_journal_page_last               44
_journal_volume                  580
_journal_year                    1990
_chemical_formula_sum            'Cl7 Cs Ti2'
_chemical_name_systematic        'Cs Ti2 Cl7'
_space_group_IT_number           13
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 92.175
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   7.0076
_cell_length_b                   6.2256
_cell_length_c                   12
_cell_volume                     523.141
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Zhang_ZAACAB_1990_1926.cif
_cod_data_source_block           Cl7Cs1Ti2
_cod_original_formula_sum        'Cl7 Cs1 Ti2'
_cod_database_code               1540763
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y,-z+1/2
-x,-y,-z
x,-y,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
Cl3 Cl-1 0.11367 0.07501 0.117 1 0.0
Ti1 Ti+3 0.07168 0.75984 0.43195 1 0.0
Cl4 Cl-1 0.22037 0.58107 0.00303 1 0.0
Cl2 Cl-1 0 0.4176 0.75 1 0.0
Cl1 Cl-1 0.35911 0.8743 0.37706 1 0.0
Cs1 Cs+1 0.5 0.37114 0.25 1 0.0