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#$Date: 2015-10-09 19:19:25 +0200 (vie 09 de oct de 2015) $
#$Revision: 162603 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/53/1535301.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_1535301
loop_
_publ_author_name
'Hinz, D.J.'
'Meyer, G.'
'Urland, W.'
'Dedecke, T.'
_publ_section_title
;
 Natrium-octachlorotrititanat(II), Na2 Ti3 Cl8: Von isolierten (Ti2)+
 -Ionen zu (Ti3)6+ -Clustern ?
;
_journal_name_full               'Angewandte Chemie (Edition international)'
_journal_page_first              71
_journal_page_last               73
_journal_volume                  34
_journal_year                    1995
_chemical_formula_sum            'Cl8 Na2 Ti3'
_chemical_name_systematic        'Na2 (Ti3 Cl8)'
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   7.4332
_cell_length_b                   7.4332
_cell_length_c                   19.721
_cell_volume                     943.651
_citation_journal_id_ASTM        ACIEAY
_cod_data_source_file            Hinz_ACIEAY_1995_1685.cif
_cod_data_source_block           Cl8Na2Ti3
_cod_original_cell_volume        943.6506
_cod_database_code               1535301
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
-x+2/3,-y+1/3,-z+1/3
y+2/3,-x+y+1/3,-z+1/3
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
-x+1/3,-y+2/3,-z+2/3
y+1/3,-x+y+2/3,-z+2/3
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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 0.17389 0.82611 0.92675 1 0.0
Na1 Na+1 0 0 0.15772 1 0.0
Cl1 Cl-1 0 0 0.40525 1 0.0
Ti1 Ti+2 0.5 0 0 1 0.0
