#------------------------------------------------------------------------------
#$Date: 2024-12-10 18:15:29 +0200 (Tue, 10 Dec 2024) $
#$Revision: 296821 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/61/9016196.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_9016196
loop_
_publ_author_name
'Smith, H. G.'
'Levy, H. A.'
_publ_section_title
;
 Neutron Diffraction Study of Ammonium Perchlorate
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica'
_journal_page_first              1201
_journal_page_last               1206
_journal_paper_doi               10.1107/S0365110X62003205
_journal_volume                  15
_journal_year                    1962
_chemical_formula_sum            'Cl H4 N O4'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2ac 2n'
_symmetry_space_group_name_H-M   'P n m a'
_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                   5.82
_cell_length_c                   7.45
_cell_volume                     398.903
_database_code_amcsd             0016053
_exptl_crystal_density_diffrn    1.889
_cod_duplicate_entry             1008111
_cod_original_formula_sum        'N Cl O4'
_cod_database_code               9016196
_amcsd_formula_title             'Cl H4 N O4'
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-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 0.18200 0.75000 0.16600 4
Cl1 Cl 0.43200 0.25000 0.19300 0
O1 O 0.31400 0.25000 0.06100 0
O2 O 0.57000 0.25000 0.10700 0
O3 O 0.41800 0.05300 0.30300 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 0016053
