#------------------------------------------------------------------------------
#$Date: 2024-12-10 17:15:29 +0100 (Tue 10 de Dec de 2024) $
#$Revision: 296821 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/50/9015021.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9015021
loop_
_publ_author_name
'Mooney, R.'
_publ_section_title
;
 The crystal structure of Ammonium chlorobromoiodide
 _cod_database_code 1010632
;
_journal_name_full               'Bulletin of the American Physical Society'
_journal_page_first              30
_journal_page_last               30
_journal_volume                  10
_journal_year                    1935
_chemical_formula_sum            'Br Cl H4 I N'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.14
_cell_length_b                   8.58
_cell_length_c                   10.03
_cell_volume                     528.392
_database_code_amcsd             0017514
_exptl_crystal_density_diffrn    3.221
_cod_duplicate_entry             1010632
_cod_original_formula_sum        'N Cl I Br'
_cod_database_code               9015021
_amcsd_formula_title             'Br Cl H4 I N'
loop_
_space_group_symop_operation_xyz
x,y,z
1/2-x,y,z
1/2+x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2-y,1/2+z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_attached_hydrogens
N1 N 0.25000 0.02780 0.36390 4
Cl1 Cl 0.25000 0.37500 0.18060 0
I1 I 0.25000 0.56110 0.37500 0
Br1 Br 0.25000 0.73600 0.56390 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1 'Vaitkus, Antanas' 2024-12-10T18:14:27+02:00
;
 Added the '_atom_site_type_symbol' data item and updated the
 '_chemical_formula_sum' data value to include the attached hydrogen atoms.
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0017514
