#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/00/1530066.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_1530066
loop_
_publ_author_name
'Hasebe, K.'
_publ_section_title
;
 Studies of the crystal structure of ammonium sulfate in connection with
 its ferroelectric phase transition
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              1266
_journal_page_last               1274
_journal_volume                  50
_journal_year                    1981
_chemical_formula_sum            'N1.5 O4 S'
_chemical_name_systematic        '(N H4)2 (S O4)'
_space_group_IT_number           62
_symmetry_space_group_name_Hall  '-P 2c 2n'
_symmetry_space_group_name_H-M   'P n a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.762
_cell_length_b                   10.612
_cell_length_c                   5.979
_cell_volume                     492.492
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Hasebe_JUPSAU_1981_631.cif
_cod_data_source_block           N1.5O4S1
_cod_original_cell_volume        492.4923
_cod_original_sg_symbol_Hall     '-P 2ac 2n (-x,z,y)'
_cod_original_formula_sum        'N1.5 O4 S1'
_cod_database_code               1530066
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,y+1/2,-z
x+1/2,-y+1/2,-z+1/2
-x,-y,z+1/2
-x,-y,-z
x-1/2,-y-1/2,z
-x-1/2,y-1/2,z-1/2
x,y,-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
O2 O-2 0.2692 0.5572 0.25 1 0.0
N2 N-3 0.9655 0.704 0.2579 0.5 0.0
O3 O-2 0.3265 0.367 0.0487 0.5 0.0
N1 N-3 0.6901 0.4019 0.2466 0.5 0.0
O1 O-2 0.0618 0.3878 0.25 1 0.0
S1 S+6 0.2455 0.4195 0.25 1 0.0
O4 O-2 0.3265 0.367 0.4513 0.5 0.0
