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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/04/2310458.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_2310458
loop_
_publ_author_name
'Padmanabhan, V.M.'
'Smith, H.G.'
'Peterson, S.W.'
_publ_section_title
;
 Meutron diffraction study of hydroxylammonium chloride, N H3 O H Cl
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              928
_journal_page_last               930
_journal_volume                  22
_journal_year                    1967
_chemical_formula_sum            'Cl H4 N O'
_chemical_name_systematic        '(N H3 (O H)) Cl'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 120.8
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.95
_cell_length_b                   5.95
_cell_length_c                   7.7
_cell_volume                     273.505
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Padmanabhan_ACCRA9_1967_993.cif
_cod_data_source_block           H4Cl1N1O1
_cod_original_formula_sum        'H4 Cl1 N1 O1'
_cod_database_code               2310458
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
H4 H+1 0.2333 -0.0171 0.1714 1 0.0
H3 H+1 0.289 0.5273 0.1583 1 0.0
N1 N-1 0.2743 0.6664 0.2252 1 0.0
H1 H+1 0.131 0.6574 0.2321 1 0.0
H2 H+1 0.4103 0.6747 0.3674 1 0.0
O1 O-2 0.265 0.8492 0.112 1 0.0
Cl1 Cl-1 0.2414 0.1881 0.3972 1 0.0
