data_global _amcsd_formula_title 'AgSc(CrO4)2*2H2O' loop_ _publ_author_name 'Kolitsch U' 'Fleck M' _journal_name_full 'European Journal of Mineralogy' _journal_volume 18 _journal_year 2006 _journal_page_first 471 _journal_page_last 482 _publ_section_title ; Third update on compounds with krohnkite-type chains: the crystal structure of wendwilsonite [Ca2Mg(AsO4)2*2H2O] and the new triclinic structure types of synthetic AgSc(CrO4)2*2H2O and M2Cu(Cr2O7)2*2H2O (M = Rb, Cs) ; _database_code_amcsd 0007159 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'Ag Sc Cr2 O10 H4' _cell_length_a 5.586 _cell_length_b 6.054 _cell_length_c 7.432 _cell_angle_alpha 110.74 _cell_angle_beta 90.21 _cell_angle_gamma 117.34 _cell_volume 204.564 _exptl_crystal_density_diffrn 3.416 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Ag 0.00000 0.00000 0.50000 0.02383 Sc 0.00000 0.00000 0.00000 0.01210 Cr 0.62811 0.22751 0.31352 0.01187 O1 0.61860 0.29540 0.54210 0.02660 O2 0.77350 0.50820 0.28060 0.02480 O3 0.30670 0.02980 0.18090 0.02370 O4 0.81610 0.06620 0.24260 0.01840 Ow5 0.22250 0.42290 0.06740 0.02130 H1 0.21000 0.49000 -0.01200 0.13000 H2 0.24500 0.53700 0.17200 0.06000 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 Ag 0.02924 0.02414 0.02079 0.01407 0.00046 0.01060 Sc 0.00990 0.01400 0.01260 0.00690 0.00250 0.00410 Cr 0.01149 0.01520 0.01031 0.00803 0.00270 0.00464 O1 0.03830 0.03380 0.01260 0.02280 0.00920 0.00760 O2 0.02580 0.02100 0.03090 0.01160 0.00840 0.01360 O3 0.01470 0.02580 0.02790 0.00880 -0.00390 0.00950 O4 0.02070 0.02580 0.01780 0.01700 0.00960 0.01060 Ow5 0.02650 0.01600 0.01730 0.00800 0.00440 0.00540