#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://saulius.grazulis.lt/cod-secondary/cif/1/53/96/1539647.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_1539647
loop_
_publ_author_name
'Becker, S.'
'Hoppe, R.'
_publ_section_title
;
 Neues ueber Cs2 Na (Ti F6) Ein weiterer Vertreter der 6-Layer-Struktur
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              16
_journal_page_last               26
_journal_volume                  579
_journal_year                    1989
_chemical_formula_sum            'Cs2 F6 Na Ti'
_chemical_name_systematic        'Cs2 Na (Ti F6)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   6.2879
_cell_length_b                   6.2879
_cell_length_c                   15.309
_cell_volume                     524.190
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Becker_ZAACAB_1989_1925.cif
_cod_data_source_block           Cs2F6Na1Ti1
_cod_original_cell_volume        524.1899
_cod_original_formula_sum        'Cs2 F6 Na1 Ti1'
_cod_database_code               1539647
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
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
F1 F-1 0.5241 -0.5241 0.2407 1 0.0
Ti1 Ti+3 0.6667 0.3333 0.1603 1 0.0
Cs3 Cs+1 0.6667 0.3333 0.6059 1 0.0
Cs1 Cs+1 0 0 0.2479 1 0.0
F3 F-1 0.1496 -0.1496 0.5734 1 0.0
Na1 Na+1 0 0 0 1 0.0
Cs2 Cs+1 0.3333 0.6667 0.0891 1 0.0
F2 F-1 -0.1837 0.1837 0.0878 1 0.0
Na2 Na+1 0.6667 0.3333 0.3587 1 0.0
Ti2 Ti+3 0 0 0.5 1 0.0
