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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/56/1535644.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_1535644
loop_
_publ_author_name
'Troyanov, S.I.'
'Snigireva, E.M.'
'Rybakov, V.B.'
_publ_section_title
;
 X-ray diffraction study of phase transition in alfa-TiCl3
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1117
_journal_page_last               1122
_journal_volume                  36
_journal_year                    1991
_chemical_formula_sum            'Cl3 Ti'
_chemical_name_systematic        'Ti Cl3'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   6.153
_cell_length_b                   6.153
_cell_length_c                   17.599
_cell_volume                     577.022
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Troyanov_ZNOKAQ_1991_1136.cif
_cod_data_source_block           Cl3Ti1
_cod_original_cell_volume        577.0221
_cod_original_formula_sum        'Cl3 Ti1'
_cod_database_code               1535644
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
-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
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
-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
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
Cl1 Cl-1 0.6448 0.0002 0.0785 1 0.0
Ti1 Ti+3 0 0 0.33339 1 0.0
