data_global _amcsd_formula_title 'KCo2Se2O10H3' loop_ _publ_author_name 'Krickl R' 'Wildner M' _journal_name_full 'European Journal of Mineralogy' _journal_volume 19 _journal_year 2007 _journal_page_first 805 _journal_page_last 816 _publ_section_title ; Crystal chemistry of synthetic Co- and Ni-analogues of natrochalcite - the shortest known hydrogen bonds among mineral-type compounds Part I: single-crystal X-ray structures Sample: T = 293 K ; _database_code_amcsd 0007251 _chemical_formula_sum 'K Co2 (Se1.92 Cr.08) O10 H3' _cell_length_a 9.078 _cell_length_b 6.471 _cell_length_c 7.687 _cell_angle_alpha 90 _cell_angle_beta 113.99 _cell_angle_gamma 90 _cell_volume 412.555 _exptl_crystal_density_diffrn 3.830 _symmetry_space_group_name_H-M 'C 1 2/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,z' '1/2+x,1/2-y,z' '-x,y,-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-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 0.00000 0.50000 0.50000 1.00000 0.01600 Co 0.25000 0.25000 0.00000 1.00000 0.00980 Se 0.08213 0.00000 0.28441 0.96000 0.00830 Cr 0.08213 0.00000 0.28441 0.04000 0.00830 O1 0.19589 0.00000 0.15910 1.00000 0.01210 O2 0.19819 0.00000 0.50743 1.00000 0.02220 O3 -0.03048 0.20959 0.22700 1.00000 0.01340 O-h 0.15216 0.50000 0.08125 1.00000 0.01150 H1 0.05600 0.50000 0.05200 0.50000 0.06000 H2 0.18100 0.50000 0.18700 1.00000 0.03500 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 0.01390 0.01930 0.01420 0.00000 0.00500 0.00000 Co 0.00890 0.00780 0.01220 0.00010 0.00380 -0.00020 Se 0.00720 0.00890 0.00870 0.00000 0.00310 0.00000 Cr 0.00720 0.00890 0.00870 0.00000 0.00310 0.00000 O1 0.01360 0.01110 0.01580 0.00000 0.01020 0.00000 O2 0.01780 0.03420 0.00990 0.00000 0.00080 0.00000 O3 0.01100 0.01030 0.01680 0.00260 0.00360 -0.00120 O-h 0.01020 0.00970 0.01580 0.00000 0.00660 0.00000