data_9009883
_chemical_name 'Mascagnite'
loop_
_publ_author_name
'Schlemper E O'
'Hamilton W C'
_journal_name_full "Journal of Chemical Physics"
_journal_volume 44
_journal_year 1966
_journal_page_first 4498
_journal_page_last 4509
_publ_section_title
;
 Neutron-diffraction study of the structures of ferroelectric and paraelectric
 ammonium sulfate
 Note: ferroelectric, T = 180 K
 Locality: synthetic
;
_chemical_formula_sum 'N2 H8 S O4'
_cell_length_a 7.837
_cell_length_b 10.61
_cell_length_c 5.967
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 496.159
_symmetry_space_group_name_H-M 'P n a 21'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2+y,1/2+z'
  '-x,-y,1/2+z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
N1   0.68080   0.39580   0.24500
N2   0.97960   0.69990   0.25600
H1   0.77100   0.33600   0.20200
H2   0.56400   0.36000   0.20600
H3   0.69100   0.48000   0.15700
H4   0.68200   0.41200   0.40800
H5   0.09200   0.65800   0.22200
H6   0.99000   0.79300   0.26500
H7   0.89600   0.67000   0.14200
H8   0.94500   0.67200   0.41200
S   0.24300   0.42100   0.25000
O1   0.06100   0.40200   0.21200
O2   0.28400   0.55700   0.22200
O3   0.33900   0.34600   0.08300
O4   0.29400   0.38200   0.47700