data_global _chemical_name_mineral 'Hummerite' loop_ _publ_author_name 'Hughes J M' 'Schindler M' 'Rakovan J F' 'Cureton F E' _journal_name_full 'The Canadian Mineralogist' _journal_volume 40 _journal_year 2002 _journal_page_first 1429 _journal_page_last 1435 _publ_section_title ; The crystal structure of hummerite, K Mg(V5O14).8H2O: Bonding between the [V10O28] structural units and the {K2Mg2(H2O)16} interstitial complex ; _database_code_amcsd 0005792 _chemical_formula_sum 'V5 O22 K Mg H16' _cell_length_a 8.8178 _cell_length_b 10.7236 _cell_length_c 11.0707 _cell_angle_alpha 65.789 _cell_angle_beta 74.057 _cell_angle_gamma 71.853 _cell_volume 894.126 _exptl_crystal_density_diffrn 2.549 _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 V1 0.67554 0.50637 0.51942 0.01666 V2 0.38822 0.77792 0.45258 0.01881 V3 0.35314 0.54862 0.73003 0.01796 V4 0.69385 0.73938 0.24167 0.02152 V5 0.63029 0.27648 0.79897 0.02128 OV1 0.29940 0.89304 0.52256 0.02650 OV2 0.28480 0.83219 0.31048 0.02220 OV3 0.52430 0.64321 0.59189 0.01730 OV4 0.76590 0.40873 0.65734 0.02120 OV5 0.79650 0.61357 0.41051 0.02150 OV6 0.51599 0.59950 0.37888 0.01740 OV7 0.26190 0.66643 0.79624 0.02620 OV8 0.22220 0.42672 0.80217 0.02170 OV9 0.50800 0.43901 0.83715 0.02070 OV10 0.56770 0.84241 0.34664 0.02150 OV11 0.45420 0.19578 0.87099 0.02350 OV12 0.82910 0.82730 0.15460 0.03200 OV13 0.73890 0.36696 0.43906 0.01820 OV14 0.73760 0.19850 0.91580 0.03280 K 0.32958 0.90849 0.78152 0.03728 Mg 0.78293 0.73370 0.78507 0.02159 OI1 0.91050 0.57040 0.71950 0.04780 HI1A 0.87800 0.52600 0.69800 0.03900 HI1B 0.99200 0.55000 0.73100 0.06100 OI2 0.64070 0.89420 0.85560 0.02860 HI2A 0.64600 0.96300 0.82000 0.05000 HI2B 0.62300 0.87400 0.93200 0.03400 OI3 0.06010 1.15460 0.59710 0.05290 HI3A -0.01600 1.14800 0.62200 0.12000 HI3B 0.08700 1.22500 0.58300 0.09000 OI4 0.00270 0.93610 0.87640 0.04890 HI4A -0.02000 0.89300 0.94500 0.16000 H14B 0.00100 1.00400 0.85600 0.23000 OI5 0.92030 0.65790 0.93400 0.03260 HI5A 0.89600 0.62800 1.00300 0.05700 HI5B 1.01200 0.65200 0.93400 0.08700 OI6 0.64920 0.82120 0.63080 0.03060 HI6A 0.62200 0.77300 0.60800 0.03200 HI6B 0.67300 0.86600 0.57100 0.07400 OI7 0.60600 0.62590 0.89630 0.03330 HI7A 0.59200 0.56700 0.87400 0.03200 HI7B 0.58300 0.60600 0.97300 0.04000 OI8 0.94570 0.85380 0.66390 0.04220 HI8A 1.00900 0.85700 0.68600 0.10000 HI8B 0.95400 0.86800 0.59900 0.17000