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#$Date: 2022-07-10 23:07:25 +0300 (Sun, 10 Jul 2022) $
#$Revision: 276739 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/72/1567265.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_1567265
loop_
_publ_author_name
'Popov, D. Yu.'
'Kavun, V. Ya.'
'Gerasimenko, A. V.'
'Sergienko, V. I.'
'Antokhina, T. F.'
_publ_section_title
;
 Crystal Structures of LiCsTiF6 and Cs2TiF6 and Internal Mobility of
 Complex Anions
;
_journal_issue                   1
_journal_name_full               'Russian Journal of Coordination Chemistry'
_journal_page_first              19
_journal_page_last               24
_journal_paper_doi               10.1023/A:1013707619394
_journal_volume                  28
_journal_year                    2002
_chemical_formula_moiety         'Cs2 F6 Ti'
_chemical_formula_sum            'Cs2 F6 Ti'
_chemical_formula_weight         427.67
_chemical_name_systematic
;
Dicaesium hexafluorotitanate
;
_space_group_crystal_system      hexagonal
_space_group_IT_number           164
_space_group_name_Hall           '-P 3 2"'
_space_group_name_H-M_alt        'P -3 m 1'
_symmetry_Int_Tables_number      164
_symmetry_space_group_name_H-M   'P -3 m 1'
_audit_creation_method           'manually at INEOS RAS'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   6.213(1)
_cell_length_b                   6.213(1)
_cell_length_c                   5.004(1)
_cell_volume                     167.28(5)
_diffrn_ambient_temperature      295
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_exptl_crystal_density_diffrn    4.25
_exptl_crystal_description       prism
_exptl_crystal_F_000             186
_refine_ls_R_factor_gt           0.0174
_refine_ls_wR_factor_ref         0.0457
_cod_data_source_file            R33-34old.cif
_cod_data_source_block           compound_R34old
_cod_original_cell_volume        167.2(3)
_cod_database_code               1567265
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 x,y,z
2 -y,x-y,z
3 -x+y,-x,z
4 y,x,-z
5 -x,-x+y,-z
6 x-y,-y,-z
7 -x,-y,-z
8 y,-x+y,-z
9 x-y,x,-z
10 -y,-x,z
11 x,x-y,z
12 -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_U_iso_or_equiv
Ti Ti 0 0 0 0.0161(3)
Cs Cs 0.6667 0.3333 0.3072(1) 0.0229(2)
F F 0.1440(2) 0.8560(2) 0.2083(5) 0.0281(5)
