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#$Date: 2016-09-16 14:55:27 +0300 (Fri, 16 Sep 2016) $
#$Revision: 186592 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/53/99/1539947.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_1539947
loop_
_publ_author_name
'Wernet, J.'
_publ_section_title
;
 Das (N H4)2 Ti Cl6 und seine Mischkristalle mit (N H4)2 Nb O Cl5
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              279
_journal_page_last               287
_journal_volume                  272
_journal_year                    1953
_chemical_formula_sum            'Cl6 H8 N2 Ti'
_chemical_name_systematic        '(N H4)2 (Ti Cl6)'
_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                   9.89
_cell_length_b                   9.89
_cell_length_c                   9.89
_cell_volume                     967.362
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Wernet_ZAACAB_1953_820.cif
_cod_data_source_block           H8Cl6N2Ti1
_cod_original_cell_volume        967.3618
_cod_original_formula_sum        'H8 Cl6 N2 Ti1'
_cod_database_code               1539947
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
_atom_site_attached_hydrogens
Cl1 Cl-1 0.24 0 0 1 0.0 0
N1 N-3 0.25 0.25 0.25 1 0.0 4
Ti1 Ti+4 0.5 0.5 0.5 1 0.0 0
