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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/56/1535672.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_1535672
loop_
_publ_author_name
'Bukvetskii, B.V.'
'Chernyshev, B.N'
'Bakeeva, N.G.'
'Didenko, N.A.'
_publ_section_title
;
 Crystal structure of the (K, Na)2 Ti2 F8 (O2)2 H2 O peroxoflourotitanate
 salt
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              1085
_journal_page_last               1088
_journal_volume                  40
_journal_year                    1995
_chemical_formula_sum            'F8 H4 K2 Na2 O6 Ti2'
_chemical_name_systematic        'K2 Na2 (Ti2 F8 (O2)2) (H2 O)2'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2bc'
_symmetry_space_group_name_H-M   'P 1 1 21/b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                104.34
_cell_formula_units_Z            2
_cell_length_a                   10.072
_cell_length_b                   10.415
_cell_length_c                   5.611
_cell_volume                     570.254
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Bukvetskii_ZNOKAQ_1995_1512.cif
_cod_data_source_block           H4F8K2Na2O6Ti2
_cod_original_cell_volume        570.2545
_cod_original_sg_symbol_Hall     '-P 2ybc (-x,z,y)'
_cod_original_formula_sum        'H4 F8 K2 Na2 O6 Ti2'
_cod_database_code               1535672
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
O3 O-2 0.4614 0.21 0.0964 1 0.0
O2 O-1 0.357 0.0482 0.5374 1 0.0
H1 H+1 0.228 0.4 0.081 1 0.0
Na1 Na+1 0.0552 0.2066 0.013 1 0.0
F4 F-1 0.1235 0.89 0.7464 1 0.0
F3 F-1 0.1678 0.19 0.3643 1 0.0
F2 F-1 0.2302 0.153 0.8244 1 0.0
F1 F-1 0.0204 0.9308 0.3314 1 0.0
Ti1 Ti+4 0.1707 0.0397 0.5481 1 0.0
K1 K+1 0.3706 0.8761 0.9376 1 0.0
H2 H+1 0.258 0.512 0.146 1 0.0
O1 O-1 0.2791 0.9671 0.3488 1 0.0
