#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/81/1528159.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_1528159
loop_
_publ_author_name
'Udalova, V.V.'
'Pinsker, Z.G.'
_publ_section_title
;
 Electron diffraction study of the structure of ammonium sulfate
;
_journal_name_full               Kristallografiya
_journal_page_first              538
_journal_page_last               547
_journal_volume                  8
_journal_year                    1963
_chemical_formula_sum            'H8 N2 O4 S'
_chemical_name_systematic        '(N H4)2 (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2n 2a'
_symmetry_space_group_name_H-M   'P m c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.97
_cell_length_b                   10.6
_cell_length_c                   7.76
_cell_volume                     491.068
_citation_journal_id_ASTM        KRISAJ
_cod_data_source_file            Udalova_KRISAJ_1963_1684.cif
_cod_data_source_block           H8N2O4S1
_cod_original_cell_volume        491.0683
_cod_original_sg_symbol_Hall     '-P 2ac 2n (y,z,x)'
_cod_original_formula_sum        'H8 N2 O4 S1'
_cod_database_code               1528159
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x+1/2,-y+1/2,z+1/2
x+1/2,-y,-z
-x,-y,-z
x,-y-1/2,z-1/2
x-1/2,y-1/2,-z-1/2
-x-1/2,y,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
S1 S+6 0.25 0.42 0.256 1 0.0
H4 H+1 0.25 0.7 0.138 1 0.0
H1 H+1 0.25 0.059 0.044 1 0.0
H5 H+1 0.111 0.063 0.258 1 0.0
O1 O-2 0.25 0.409 0.045 1 0.0
H3 H+1 0.25 0.72 0.38 1 0.0
H2 H+1 0.25 0.193 0.147 1 0.0
N1 N-3 0.25 0.097 0.192 1 0.0
O2 O-2 0.25 0.54 0.308 1 0.0
H6 H+1 0.111 0.861 0.457 1 0.0
O3 O-2 0.041 0.352 0.317 1 0.0
N2 N-3 0.25 0.805 0.48 1 0.0
