data_global _amcsd_formula_title 'K2Mg(MoO4)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 0011101 _chemical_formula_sum 'K2 Mg Mo2 O10 H4' _cell_length_a 5.884 _cell_length_b 6.491 _cell_length_c 7.700 _cell_angle_alpha 111.67 _cell_angle_beta 96.59 _cell_angle_gamma 108.62 _cell_volume 249.795 _exptl_crystal_density_diffrn 3.047 _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 0.67417 0.29845 0.75558 0.02202 Mg 0.00000 0.00000 0.00000 0.01230 Mo 0.66456 0.33076 0.23716 0.01218 O1 0.63840 0.17400 0.37950 0.02440 O2 0.75710 0.63840 0.37890 0.02380 O3 0.37220 0.23590 0.07540 0.01990 O4 0.88890 0.28950 0.10550 0.01700 Ow 0.95370 0.01510 0.73390 0.01670 H1 0.03300 0.09100 0.72200 0.01600 H2 0.91200 -0.06800 0.67200 0.01500 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 0.02470 0.01900 0.01950 0.00920 0.00160 0.00600 Mg 0.01110 0.01150 0.01140 0.00480 0.00110 0.00220 Mo 0.01080 0.01139 0.01098 0.00346 0.00231 0.00224 O1 0.02690 0.02780 0.02210 0.00980 0.00820 0.01480 O2 0.02340 0.01590 0.02050 0.00590 0.00240 -0.00180 O3 0.01290 0.01890 0.02030 0.00270 -0.00010 0.00500 O4 0.01680 0.01610 0.01800 0.00790 0.00710 0.00540 Ow 0.01800 0.01290 0.01210 0.00130 0.00340 0.00220