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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/1/52/48/1524893.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_1524893
loop_
_publ_author_name
'Massa, W.'
'Pausewang, G.'
_publ_section_title
;
 Zur Kristallstruktur von (N H4)3 Ti (O2) F5
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              361
_journal_page_last               368
_journal_volume                  13
_journal_year                    1978
_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                   9.23
_cell_length_b                   9.23
_cell_length_c                   9.23
_cell_volume                     786.330
_citation_journal_id_ASTM        MRBUAC
_cod_data_source_file            Massa_MRBUAC_1978_207.cif
_cod_data_source_block           H12F5N3O2Ti1
_cod_original_cell_volume        786.3303
_cod_original_formula_sum        'H12 F5 N3 O2 Ti1'
_cod_database_code               1524893
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 0.1858 0.1858 0.0889 0.0833 0.0
F1 F-1 0.2037 0 0 0.833 0.0
H1 H+1 0.0532 0.532 0.5532 0.1667 0.0
N2 N-3 0.25 0.25 0.25 1 0.0
H2 H+1 0.198 0.198 0.198 1 0.0
Ti1 Ti+4 0 0 0 1 0.0
N1 N-3 0.5 0.5 0.5 1 0.0
