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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/2/31/05/2310509.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310509
loop_
_publ_author_name
'Weiss, R.'
'Fischer, J.'
'Chevrier, B.'
_publ_section_title
;
 Structure Cristalline du Fluorotitanate Acide de Sodium, Na3 H Ti F8
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              534
_journal_page_last               537
_journal_volume                  20
_journal_year                    1966
_chemical_formula_sum            'F8 H Na3 Ti'
_chemical_name_systematic        'Na3 H Ti F8'
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.182
_cell_length_b                   13.86
_cell_length_c                   6.538
_cell_volume                     650.809
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Weiss_ACCRA9_1966_935.cif
_cod_data_source_block           H1F8Na3Ti1
_cod_original_formula_sum        'H1 F8 Na3 Ti1'
_cod_database_code               2310509
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z+1/2
x,-y,-z
-x,y,-z+1/2
-x,-y,-z
x,y,-z-1/2
-x,y,z
x,-y,z-1/2
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z+1/2
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z-1/2
-x+1/2,y+1/2,z
x+1/2,-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
F2 F-1 0.189 0.24 0.25 1 0.0
F1 F-1 0.19 0.052 0.25 1 0.0
F3 F-1 0 0.147 -0.04 1 0.0
Na1 Na+1 0 0.686 0.25 1 0.0
Na2 Na+1 0.245 0.395 0.25 1 0.0
Ti1 Ti+4 0 0.144 0.25 1 0.0
F4 F-1 0 0.416 0.031 1 0.0
