#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/83/1538355.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_1538355
loop_
_publ_author_name
'Natta, G.'
'Corradini, P.'
'Allegra, G.'
_publ_section_title
;
 The Different Crystalline Modifications of TiCl₃, a Catalyst Component
 for the Polymerization of α-Olefins. I: α-, β-, γ-TiCl₃.
 II: δ-TiCl₃
;
_journal_issue                   156
_journal_name_full               'Journal of Polymer Science'
_journal_page_first              399
_journal_page_last               410
_journal_paper_doi               10.1002/pol.1961.1205115602
_journal_volume                  51
_journal_year                    1961
_chemical_formula_sum            'Cl3 Ti'
_chemical_name_systematic        'Ti Cl3'
_space_group_IT_number           193
_symmetry_space_group_name_Hall  '-P 6c 2'
_symmetry_space_group_name_H-M   'P 63/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            2
_cell_length_a                   6.27
_cell_length_b                   6.27
_cell_length_c                   5.82
_cell_volume                     198.148
_citation_journal_id_ASTM        JPSCAU
_cod_data_source_file            Natta_JPSCAU_1961_1069.cif
_cod_data_source_block           Cl3Ti1
_cod_original_cell_volume        198.1476
_cod_original_formula_sum        'Cl3 Ti1'
_cod_database_code               1538355
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/2
-y,x-y,z
-x,-y,z+1/2
-x+y,-x,z
y,-x+y,z+1/2
-y,-x,-z
x-y,-y,-z+1/2
x,x-y,-z
y,x,-z+1/2
-x+y,y,-z
-x,-x+y,-z+1/2
-x,-y,-z
-x+y,-x,-z-1/2
y,-x+y,-z
x,y,-z-1/2
x-y,x,-z
-y,x-y,-z-1/2
y,x,z
-x+y,y,z-1/2
-x,-x+y,z
-y,-x,z-1/2
x-y,-y,z
x,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
Cl1 Cl-1 0.315 0 0.25 1 0.0
Ti1 Ti+3 0 0 0 1 0.0
