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