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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/1/53/84/1538470.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_1538470
loop_
_publ_author_name
'Peyronel, G.'
_publ_section_title
;
 Ricerche sugli epta-perossifluotitanati. Struttura dell' (N H4)3 Ti O2 F5
;
_journal_name_full               'Gazzetta Chimica Italiana'
_journal_page_first              620
_journal_page_last               626
_journal_volume                  71
_journal_year                    1941
_chemical_formula_sum            'F5 H12 N3 O2 Ti'
_chemical_name_systematic        '(N H4)3 (Ti (O2) F5)'
_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                   9.2
_cell_length_b                   9.2
_cell_length_c                   9.2
_cell_volume                     778.688
_citation_journal_id_ASTM        GCITA9
_cod_data_source_file            Peyronel_GCITA9_1941_74.cif
_cod_data_source_block           H12F5N3O2Ti1
_cod_original_cell_volume        778.6879
_cod_original_formula_sum        'H12 F5 N3 O2 Ti1'
_cod_database_code               1538470
loop_
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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
O1 O-1 0.192 0.987 0.841 0.0208 0.0
F1 F-1 0.122 0.122 0.122 0.125 0.0
Ti1 Ti+4 0.99 0.99 0.99 0.125 0.0
O2 O-1 0.781 0.01 0.969 0.0208 0.0
N1 N-3 0.3 0.3 0.3 0.25 0.0
F2 F-1 0.192 0.987 0.841 0.0417 0.0
N2 N-3 0.5 0.5 0.5 1 0.0
F3 F-1 0.781 0.01 0.969 0.0417 0.0
