data_global _amcsd_formula_title 'K2Mg(CrO4)2*2H2O' loop_ _publ_author_name 'Fleck M' 'Kolitsch U' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 218 _journal_year 2003 _journal_page_first 553 _journal_page_last 567 _publ_section_title ; Natural and synthetic compounds with krohnkite-type chains. An update ; _database_code_amcsd 0011100 _chemical_formula_sum 'K2 Mg Cr2 O10 H4' _cell_length_a 5.674 _cell_length_b 6.462 _cell_length_c 7.517 _cell_angle_alpha 110.38 _cell_angle_beta 95.24 _cell_angle_gamma 109.86 _cell_volume 236.026 _exptl_crystal_density_diffrn 2.607 _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 K 0.66488 0.30324 0.75993 0.02310 Mg 0.00000 0.00000 0.00000 0.01630 Cr 0.66710 0.33533 0.23414 0.01333 O1 0.63050 0.18530 0.36950 0.02400 O2 0.76990 0.62660 0.37090 0.02290 O3 0.38670 0.25230 0.08260 0.01860 O4 0.88130 0.28700 0.10430 0.01790 Ow 0.95750 0.01130 0.73180 0.01970 H1 0.07800 0.12900 0.72700 0.04500 H2 0.90800 -0.12700 0.63700 0.04600 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 K 0.02580 0.02050 0.02110 0.01000 0.00210 0.00620 Mg 0.01570 0.01720 0.01520 0.00650 0.00310 0.00580 Cr 0.01290 0.01220 0.01270 0.00398 0.00280 0.00362 O1 0.02730 0.02640 0.02260 0.01020 0.00780 0.01470 O2 0.02550 0.01640 0.01780 0.00500 0.00250 0.00060 O3 0.01440 0.01840 0.01770 0.00480 0.00040 0.00390 O4 0.01620 0.01820 0.01920 0.00710 0.00650 0.00690 Ow 0.01810 0.01820 0.01460 0.00250 0.00450 0.00170