#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/84/1538448.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1538448
loop_
_publ_author_name
'Osaki, Kenji'
'Tadokoro, Hiroyuki'
'Nitta, Isamu'
_publ_section_title
;
 Structure of Sulphamic Acid Molecule from a Three-dimensional Fourier
 Analysis
;
_journal_issue                   7
_journal_name_full               'Bulletin of the Chemical Society of Japan'
_journal_page_first              524
_journal_page_last               528
_journal_paper_doi               10.1246/bcsj.28.524
_journal_volume                  28
_journal_year                    1955
_chemical_formula_sum            'H3 N O3 S'
_chemical_name_systematic        'H S O3 (N H2)'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2bc 2ac'
_symmetry_space_group_name_H-M   'P c a b'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   8.066
_cell_length_b                   8.115
_cell_length_c                   9.255
_cell_volume                     605.791
_citation_journal_id_ASTM        BCSJA8
_cod_data_source_file            Osaki_BCSJA8_1955_982.cif
_cod_data_source_block           H3N1O3S1
_cod_original_cell_volume        605.7915
_cod_original_sg_symbol_Hall     '-P 2ac 2ab (z,y,-x)'
_cod_original_formula_sum        'H3 N1 O3 S1'
_cod_database_code               1538448
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x+1/2,-y,-z+1/2
-x,-y+1/2,z+1/2
-x+1/2,y+1/2,-z
-x,-y,-z
-x-1/2,y,z-1/2
x,y-1/2,-z-1/2
x-1/2,-y-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 0.2377 0.0438 0.079 1 0.0
O2 O-2 0.075 0.3057 0.0757 1 0.0
O1 O-2 -0.0486 0.0601 0.1767 1 0.0
S1 S+6 0.094 0.1668 0.1719 1 0.0
O3 O-2 0.1758 0.2025 0.3055 1 0.0
