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#$Date: 2015-10-13 11:48:56 +0300 (Tue, 13 Oct 2015) $
#$Revision: 166969 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/31/09/2310926.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_2310926
loop_
_publ_author_name
'Olovsson, I.'
'Templeton, D.H.'
_publ_section_title
;
 The crystal structure of ammonia monohydrate
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              827
_journal_page_last               832
_journal_volume                  12
_journal_year                    1959
_chemical_formula_sum            'H5 N O'
_chemical_name_systematic        '(N H3) (H2 O)'
_space_group_IT_number           19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.51
_cell_length_b                   5.587
_cell_length_c                   9.7
_cell_volume                     244.414
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Olovsson_ACCRA9_1959_1377.cif
_cod_data_source_block           H5N1O1
_cod_original_cell_volume        244.4145
_cod_chemical_formula_sum_orig   'H5 N1 O1'
_cod_database_code               2310926
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y,z+1/2
x+1/2,-y+1/2,-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
N1 N-3 0.2641 0.272 0.3345 1 0.0
O1 O-2 0.241 0.1107 0.0168 1 0.0