data_global
_chemical_name_mineral 'Letovicite'
loop_
_publ_author_name
'Friese K'
'Aroyo M I'
'Schwalowsky I'
'Adiwidjaja G'
'Bismayer U'
_journal_name_full 'Journal of Solid State Chemistry'
_journal_volume 165 
_journal_year 2002
_journal_page_first 136
_journal_page_last 147
_publ_section_title
;
 The disordered high-temperature structure of (NH4)3H(SO4)2 and its relationship
 to the room-temperature phase
 Sample: T = 293 K
;
_database_code_amcsd 0014022
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'N3 H13 S2 O8'
_cell_length_a 15.418
_cell_length_b 5.905
_cell_length_c 10.223
_cell_angle_alpha 90
_cell_angle_beta 102.806
_cell_angle_gamma 90
_cell_volume 907.585
_exptl_crystal_density_diffrn      1.810
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
N1   0.50000   0.23080   0.25000   0.04150
N2   0.19879   0.27500   0.15293   0.04530
H1   0.00000   0.00000   0.00000   0.11700
H2   0.47200   0.16000   0.18900   0.11700
H3   0.46500   0.29100   0.27200   0.11700
H4   0.25300   0.29300   0.16000   0.11700
H5   0.17600   0.36500   0.09700   0.11700
H6   0.18800   0.15400   0.11600   0.11700
H7   0.18500   0.28700   0.20600   0.11700
S   0.11419   0.21844   0.46134   0.03240
O1   0.01482   0.18510   0.44230   0.04950
O2   0.15028   0.22280   0.60524   0.05070
O3   0.12875   0.43250   0.39863   0.05300
O4   0.14900   0.02750   0.39841   0.05260