#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103948.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_8103948
loop_
_publ_author_name
'Henke, H.'
_publ_section_title
;
 Zur kristallchemischen Einordnung von Na Sb Cl6, Na Nb Cl6 und Na Ta Cl6
;
_journal_name_full
'Zeitschrift fuer Kristallographie (149,1979-)'
_journal_page_first              1
_journal_page_last               16
_journal_volume                  198
_journal_year                    1992
_chemical_formula_sum            'Cl6 Na Ta'
_chemical_name_systematic        'Na (Ta Cl6)'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 90.87
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.449
_cell_length_b                   6.88
_cell_length_c                   18.989
_cell_volume                     842.428
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Henke_ZEKRDZ_1992_10.cif
_cod_data_source_block           Cl6Na1Ta1
_cod_original_cell_volume        842.4281
_cod_original_formula_sum        'Cl6 Na1 Ta1'
_cod_database_code               8103948
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-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 0.375 0.1876 0.23698 1 0.0
Cl4 Cl-1 0.115 0.2519 0.00459 1 0.0
Na1 Na+1 0.7869 0.3072 0.248 1 0.0
Cl6 Cl-1 0.4123 -0.0748 0.09093 1 0.0
Cl5 Cl-1 -0.0428 0.0386 0.15351 1 0.0
Cl2 Cl-1 0.5469 0.397 0.09118 1 0.0
Ta1 Ta+5 0.25581 0.21729 0.11335 1 0.0
Cl3 Cl-1 0.0783 0.5039 0.1529 1 0.0
