#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/42/4344264.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_4344264
loop_
_publ_author_name
'Elder, M.'
'Penfold, B.R.'
_publ_section_title
;
 The Crystal Structure of Technetium(IV) Chloride. A New AB4 Structure
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1197
_journal_page_last               1200
_journal_volume                  5
_journal_year                    1966
_chemical_formula_sum            'Cl4 Tc'
_chemical_name_systematic        'Tc Cl4'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.65
_cell_length_b                   14.06
_cell_length_c                   6.03
_cell_volume                     987.708
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            Elder_INOCAJ_1966_1057.cif
_cod_data_source_block           Cl4Tc1
_cod_original_formula_sum        'Cl4 Tc1'
_cod_database_code               4344264
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-z
-x,y+1/2,-z+1/2
-x,-y,-z
x-1/2,y,-z-1/2
-x-1/2,y-1/2,z
x,-y-1/2,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 0.743 0.3081 0.5739 1 0.0
Cl3 Cl-1 0.7462 0.0709 0.5474 1 0.0
Cl2 Cl-1 0.5125 0.3081 0.2239 1 0.0
Tc1 Tc+4 0.6282 0.1791 0.3984 1 0.0
Cl4 Cl-1 0.5101 0.07 0.2502 1 0.0
