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#$Date: 2016-09-15 17:27:05 +0300 (Thu, 15 Sep 2016) $
#$Revision: 186580 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/16/1541615.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_1541615
loop_
_publ_author_name
'Jander, J.'
'Machatzke, H.'
'Mecke, D.'
_publ_section_title
;
 Notiz ueber Hexabromotitanate
;
_journal_name_full
'Zeitschrift fuer Anorganische und Allgemeine Chemie'
_journal_page_first              181
_journal_page_last               182
_journal_volume                  294
_journal_year                    1958
_chemical_formula_sum            'Br6 H8 N2 Ti'
_chemical_name_systematic        '(N H4)2 Ti Br6'
_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                   10.43
_cell_length_b                   10.43
_cell_length_c                   10.43
_cell_volume                     1134.627
_citation_journal_id_ASTM        ZAACAB
_cod_data_source_file            Jander_ZAACAB_1958_1064.cif
_cod_data_source_block           H8Br6N2Ti1
_cod_original_formula_sum        'H8 Br6 N2 Ti1'
_cod_database_code               1541615
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
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z,-x,-y
x,z,-y
-z,x,-y
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y,z,x
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z,y,-x
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x,y,-z
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-x,y,z
-y,-x,z
x,-y,z
y,x,z
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z,x,-y
-x,z,-y
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z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
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z,y,x
y,z,-x
-z,y,-x
z,-y,-x
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z,x+1/2,y+1/2
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z,y+1/2,-x+1/2
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z+1/2,y+1/2,x
y+1/2,z+1/2,-x
-z+1/2,y+1/2,-x
z+1/2,-y+1/2,-x
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
Ti1 Ti+4 0 0 0 1 0.0 0
N1 N-3 0.25 0.25 0.25 1 0.0 4
Br1 Br-1 0.238 0 0 1 0.0 0
