data_global _amcsd_formula_title 'K(H2O)In(H1.5AsO4)2(H2AsO4)' loop_ _publ_author_name 'Schwendtner K' 'Kolitsch U' _journal_name_full 'European Journal of Mineralogy' _journal_volume 19 _journal_year 2007 _journal_page_first 399 _journal_page_last 409 _publ_section_title ; Two new structure types: KFe3(AsO4)2(HAsO4)2 and K(H2O)M3+(H1.5AsO4)2(H2AsO4) (M3+ = Fe, Ga, In) - synthesis, crystal structure and spectroscopy ; _database_code_amcsd 0007223 _chemical_formula_sum 'K O13 In As3 H7' _cell_length_a 4.798 _cell_length_b 8.832 _cell_length_c 13.971 _cell_angle_alpha 90 _cell_angle_beta 94.68 _cell_angle_gamma 90 _cell_volume 590.060 _exptl_crystal_density_diffrn 3.342 _symmetry_space_group_name_H-M 'P 1 2/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,1/2-z' '1/2+x,-y,1/2+z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv K 0.65560 0.99400 0.00810 0.50000 0.03630 O7 0.75000 0.35510 0.25000 1.00000 0.02260 In 0.75000 0.78143 0.25000 1.00000 0.01728 As1 0.20417 0.65205 0.09643 1.00000 0.01291 As2 0.25000 0.05180 0.25000 1.00000 0.01479 O1 -0.01710 0.61440 0.17940 1.00000 0.02010 O2 0.46210 0.77440 0.12630 1.00000 0.01810 O3 0.32550 0.48240 0.06070 1.00000 0.02180 O4 0.03760 0.74360 -0.00130 1.00000 0.02450 O5 -0.01090 0.95770 0.19080 1.00000 0.01940 O6 0.12700 0.16580 0.33780 1.00000 0.02730 H1 -0.05300 0.18300 0.31900 1.00000 0.04000 H2 -0.12200 0.72000 -0.03700 1.00000 0.03000 H3 0.87200 0.40500 0.21500 1.00000 0.02000 H4 0.43000 0.49000 0.01000 0.50000 0.02000