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#$Date: 2016-12-12 02:59:30 +0200 (Mon, 12 Dec 2016) $
#$Revision: 189061 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/44/8104492.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_8104492
loop_
_publ_author_name
'Cain, B. E.'
'Kanda, F. A.'
_publ_section_title
;
 The crystal structure of ammonium sulfamate
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
_journal_page_first              253
_journal_page_last               261
_journal_volume                  135
_journal_year                    1972
_chemical_formula_sum            'H6 N2 O3 S'
_chemical_name_systematic        'N H4 S O3 N H2'
_space_group_IT_number           61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.443
_cell_length_b                   7.739
_cell_length_c                   14.281
_cell_volume                     822.605
_citation_journal_id_ASTM        ZEKGAX
_cod_data_source_file            Cain_ZEKGAX_1972_1265.cif
_cod_data_source_block           H6N2O3S1
_cod_original_cell_volume        822.6052
_cod_original_formula_sum        'H6 N2 O3 S1'
_cod_database_code               8104492
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
-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
_atom_site_attached_hydrogens
N1 N-3 0.635 0.137 0.419 1 0.0 4
N2 N-3 0.005 -0.021 0.327 1 0.0 2
O3 O-2 0.225 0.095 0.439 1 0.0 0
O2 O-2 -0.012 0.278 0.386 1 0.0 0
S1 S+6 0.1211 0.15 0.3602 1 0.0 0
O1 O-2 0.229 0.205 0.281 1 0.0 0
