data_global _amcsd_formula_title 'As H2 Li O4' loop_ _publ_author_name 'Fanchon E' 'Vicat J' 'Duc Tran Qui' 'Boudjada A' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 43 _journal_year 1987 _journal_page_first 1022 _journal_page_last 1025 _publ_section_title ; Absolute structure of LiH2AsO4 _cod_database_code 1008335 ; _database_code_amcsd 0016246 _chemical_formula_sum 'As O4 Li H2' _cell_length_a 6.416 _cell_length_b 7.727 _cell_length_c 7.298 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 361.809 _exptl_crystal_density_diffrn 2.715 _symmetry_space_group_name_H-M 'P n a 21' loop_ _space_group_symop_operation_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 As1 0.30199 0.42074 0.17317 O1 0.27960 0.31410 0.36760 O2 0.42180 0.61720 0.19980 O3 0.06120 0.48870 0.09560 O4 0.42160 0.30930 0.00980 Li1 0.48350 0.78470 -0.00010 H1 -0.00900 0.35900 0.03400 H2 0.47300 0.63200 0.29600 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 As1 0.01460 0.01220 0.01050 0.00100 0.00090 0.00160 O1 0.01730 0.02180 0.01390 0.00190 0.00210 0.00640 O2 0.03300 0.01960 0.01330 -0.00910 -0.00410 0.00240 O3 0.01860 0.01610 0.02840 0.00110 -0.00680 0.00420 O4 0.02930 0.01950 0.01600 0.00630 0.00770 0.00180 Li1 0.01860 0.02250 0.01310 -0.00020 -0.00180 0.00020