#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/39/8103950.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_8103950
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 Nb'
_chemical_name_systematic        'Na (Nb 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                 90.72
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.398
_cell_length_b                   6.85
_cell_length_c                   19.012
_cell_volume                     833.160
_citation_journal_id_ASTM        ZEKRDZ
_cod_data_source_file            Henke_ZEKRDZ_1992_9.cif
_cod_data_source_block           Cl6Na1Nb1
_cod_original_cell_volume        833.1597
_cod_original_formula_sum        'Cl6 Na1 Nb1'
_cod_database_code               8103950
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 0.37626 0.18638 0.23592 1 0.0
Cl2 Cl-1 0.54836 0.39781 0.09008 1 0.0
Nb1 Nb+5 0.25649 0.21685 0.11204 1 0.0
Cl6 Cl-1 0.41267 -0.07678 0.08983 1 0.0
Cl4 Cl-1 0.11166 0.25204 0.00427 1 0.0
Na1 Na+1 0.7909 0.3068 0.2488 1 0.0
Cl3 Cl-1 0.07698 0.50488 0.15244 1 0.0
Cl5 Cl-1 -0.0453 0.03729 0.15308 1 0.0
