#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/84/1538494.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_1538494
loop_
_publ_author_name
'Preiss, H.'
_publ_section_title
;
 Die Kritallstruktur von Ta Cl4 F
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              272
_journal_page_last               278
_journal_volume                  346
_journal_year                    1966
_chemical_formula_sum            'Cl4 F Ta'
_chemical_name_systematic        'Ta Cl4 F'
_space_group_IT_number           82
_symmetry_space_group_name_Hall  'I -4'
_symmetry_space_group_name_H-M   'I -4'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   12.71
_cell_length_b                   12.71
_cell_length_c                   7.84
_cell_volume                     1266.506
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Preiss_ZAACAB_1966_1858.cif
_cod_data_source_block           Cl4F1Ta1
_cod_original_formula_sum        'Cl4 F1 Ta1'
_cod_database_code               1538494
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,y+1/2,z+1/2
y+1/2,-x+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
-y+1/2,x+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
Cl4 Cl-1 0.0459 0.2191 0.7339 1 0.0
Cl1 Cl-1 0.2116 0.3055 0.0277 1 0.0
Ta1 Ta+5 0.0479 0.2251 0.0241 1 0.0
F1 F-1 0.138 0.084 0.997 1 0.0
Cl2 Cl-1 0.1324 0.4368 0.4682 1 0.0
Cl3 Cl-1 0.0456 0.214 0.3152 1 0.0
