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#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/53/1535309.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_1535309
loop_
_publ_author_name
'Hinz, D.J.'
'Meyer, G.'
'Dedecke, T.'
'Urland, W.'
_publ_section_title
;
 Synthese, Kristallstruktur und Magnetismus von
 Natriumtetrachlorotitanat(II), Na2TiCl4
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              801
_journal_page_last               804
_journal_volume                  620
_journal_year                    1994
_chemical_formula_sum            'Cl4 Na2 Ti'
_chemical_name_systematic        'Na2 (Ti Cl4)'
_space_group_IT_number           55
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.942
_cell_length_b                   11.989
_cell_length_c                   3.856
_cell_volume                     320.926
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Hinz_ZAACAB_1994_1600.cif
_cod_data_source_block           Cl4Na2Ti1
_cod_original_cell_volume        320.9258
_cod_original_formula_sum        'Cl4 Na2 Ti1'
_cod_database_code               1535309
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x,-y,-z
x,y,-z
-x-1/2,y-1/2,z
x-1/2,-y-1/2,z
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
Cl2 Cl-1 0.2382 0.5449 0 1 0.0
Cl1 Cl-1 0.1272 0.3021 0.5 1 0.0
Na1 Na+1 0.4181 0.3179 0 1 0.0
Ti1 Ti+2 0 0.5 0.5 1 0.0
