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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/2/31/08/2310857.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# 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_2310857
loop_
_publ_author_name
'Gillespie, R.B.'
'Sparks, R.A.'
'Trueblood, K.N.'
_publ_section_title
;
 The crystal structure of ammonium chlorite at -35 C
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              867
_journal_page_last               872
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'Cl H4 N O2'
_chemical_name_systematic        '(N H4) (Cl O2)'
_space_group_IT_number           113
_symmetry_space_group_name_Hall  'P -4 2ab'
_symmetry_space_group_name_H-M   'P -4 21 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   6.349
_cell_length_b                   6.349
_cell_length_c                   3.778
_cell_volume                     152.290
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Gillespie_ACCRA9_1959_1383.cif
_cod_data_source_block           H4Cl1N1O2
_cod_original_cell_volume        152.2904
_cod_original_formula_sum        'H4 Cl1 N1 O2'
_cod_database_code               2310857
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,-x,-z
-x,-y,z
-y,x,-z
x+1/2,-y+1/2,-z
-y+1/2,-x+1/2,z
-x+1/2,y+1/2,-z
y+1/2,x+1/2,z
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
N1 N-3 0 0 0.5 1 0.0
H1 H+1 0.033 0.1 0.341 1 0.0
Cl1 Cl+3 0 0.5 -0.1136 1 0.0
O1 O-2 0.357 0.857 0.878 1 0.0
