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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/2/10/69/2106927.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_2106927
loop_
_publ_author_name
'Omaly, J.'
'Avignant, D.'
'Batail, P.'
'Grandjean, D.'
'Cousseins, J.C.'
_publ_section_title
;
 Structure cristalline de alpha-Na Ti F4
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              2106
_journal_page_last               2110
_journal_volume                  32
_journal_year                    1976
_chemical_formula_sum            'F4 Na Ti'
_chemical_name_systematic        'Na (Ti F4)'
_space_group_IT_number           60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.976
_cell_length_b                   5.755
_cell_length_c                   11.07
_cell_volume                     317.010
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Omaly_ACBCAR_1976_728.cif
_cod_data_source_block           F4Na1Ti1
_cod_original_cell_volume        317.0103
_cod_original_formula_sum        'F4 Na1 Ti1'
_cod_database_code               2106927
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z+1/2
x+1/2,-y+1/2,-z
-x,y,-z+1/2
-x,-y,-z
x-1/2,y-1/2,-z-1/2
-x-1/2,y-1/2,z
x,-y,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
Ti1 Ti+3 0 -0.15577 0.25 1 0.0
F2 F-1 0.83367 0.82239 0.40177 1 0.0
Na1 Na+1 0 0.5 0 1 0.0
F1 F-1 0.7467 0.08649 0.18836 1 0.0
