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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/1/52/80/1528096.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_1528096
loop_
_publ_author_name
'Stomberg, R.'
'Svensson, I.B.'
_publ_section_title
;
 The disordered structure of ammonium pentafluoroperoxotitanate(IV), (N
 H4)3 (Ti F5 (O2))
;
_journal_name_full
'Acta Chemica Scandinavica, Series A: (28,1974-)'
_journal_page_first              635
_journal_page_last               637
_journal_volume                  31
_journal_year                    1977
_chemical_formula_sum            'F6.98 H12 N3 Ti'
_chemical_name_systematic        '(N H4)3 (Ti F6.98)'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   9.231
_cell_length_b                   9.231
_cell_length_c                   9.231
_cell_volume                     786.586
_citation_journal_id_ASTM        ACAPCT
_cod_data_source_file            Stomberg_ACAPCT_1977_787.cif
_cod_data_source_block           H12F6.98N3Ti1
_cod_original_cell_volume        786.5861
_cod_original_formula_sum        'H12 F6.98 N3 Ti1'
_cod_database_code               1528096
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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
F1 F-1 0 0.046 0.205 0.208 0.0
F2 F-1 0 0.112 0.18 0.083 0.0
Ti1 Ti+4 0 0 0 1 0.0
N2 N-3 0.25 0.25 0.25 1 0.0
H1 H+1 0.388 0 0 0.667 0.0
H2 H+1 0.185 0.185 0.185 1 0.0
N1 N-3 0.5 0.5 0.5 1 0.0
