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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/72/2107203.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_2107203
loop_
_publ_author_name
'Tun, Z.'
'Brown, I.D.'
_publ_section_title
;
 Hydrogen bonding in diammonium hexafluorotitanate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              1792
_journal_page_last               1794
_journal_volume                  38
_journal_year                    1982
_chemical_formula_sum            'F6 H8 N2 Ti'
_chemical_name_systematic        '(N H4)2 (Ti F6)'
_space_group_IT_number           164
_symmetry_space_group_name_Hall  '-P 3 2"'
_symmetry_space_group_name_H-M   'P -3 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.92
_cell_length_b                   5.92
_cell_length_c                   4.702
_cell_volume                     142.711
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Tun_ACBCAR_1982_307.cif
_cod_data_source_block           H8F6N2Ti1
_cod_original_cell_volume        142.7108
_cod_original_formula_sum        'H8 F6 N2 Ti1'
_cod_database_code               2107203
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-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_occupancy
_atom_site_U_iso_or_equiv
H1 H+1 0.6667 0.3333 -0.12 1 0.0
H2 H+1 0.742 0.484 -0.372 1 0.0
N1 N-3 0.6667 0.3333 -0.3094 1 0.0
Ti1 Ti+4 0 0 0 1 0.0
F1 F-1 0.2992 0.1496 0.2227 1 0.0
