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#$Date: 2016-01-03 13:45:37 +0200 (Sun, 03 Jan 2016) $
#$Revision: 173151 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/17/1541710.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_1541710
loop_
_publ_author_name
'Mayer, M.'
'de Roy, A.'
'Perez, G.'
_publ_section_title
;
 Etude structurale de la phase Na1-x Zn2-x Ti2+x O6+x F1-x
;
_journal_name_full               'Revue de Chimie Minerale'
_journal_page_first              540
_journal_page_last               548
_journal_volume                  13
_journal_year                    1976
_chemical_formula_sum            'F0.76 Na0.76 O6.24 Ti2.24 Zn1.76'
_chemical_name_systematic        'Na.76 Zn1.76 Ti2.24 O6.24 F.76'
_space_group_IT_number           69
_symmetry_space_group_name_Hall  '-F 2 2'
_symmetry_space_group_name_H-M   'F m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.752
_cell_length_b                   11.294
_cell_length_c                   16.689
_cell_volume                     1084.169
_citation_journal_id_ASTM        RVCMA8
_cod_data_source_file            Mayer_RVCMA8_1976_749.cif
_cod_data_source_block           F0.76Na0.76O6.24Ti2.24Zn1.76
_cod_database_code               1541710
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x,y+1/2,z+1/2
-x,-y+1/2,z+1/2
x,-y+1/2,-z+1/2
-x,y+1/2,-z+1/2
-x,-y+1/2,-z+1/2
x,y+1/2,-z+1/2
-x,y+1/2,z+1/2
x,-y+1/2,z+1/2
x+1/2,y,z+1/2
-x+1/2,-y,z+1/2
x+1/2,-y,-z+1/2
-x+1/2,y,-z+1/2
-x+1/2,-y,-z+1/2
x+1/2,y,-z+1/2
-x+1/2,y,z+1/2
x+1/2,-y,z+1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,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
Ti2 Ti+4 0 0 0.1845 0.27 0.0
O4 O-2 0.5 0.1656 0 0.89 0.0
O3 O-2 0.2767 0 0.1051 0.89 0.0
Zn3 Zn+2 0.5 0.1308 0.1082 0.35 0.0
F3 F-1 0.2767 0 0.1051 0.11 0.0
F1 F-1 0.25 0.25 0.1292 0.11 0.0
Ti3 Ti+4 0.5 0.1308 0.1082 0.65 0.0
Zn1 Zn+2 0.25 0.25 0.25 0.33 0.0
Ti1 Ti+4 0.25 0.25 0.25 0.67 0.0
O1 O-2 0.25 0.25 0.1282 0.89 0.0
Zn2 Zn+2 0 0 0.1845 0.73 0.0
F4 F-1 0.5 0.1656 0 0.11 0.0
O2 O-2 0 0.133 0.2668 0.89 0.0
F2 F-1 0 0.133 0.2668 0.11 0.0
Na1 Na+1 0 0.1313 0 0.76 0.0
