data_global _amcsd_formula_title 'NaCo2Se2O10H3' 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 0007250 _chemical_formula_sum 'Na Co2 Se2 O10 H3' _cell_length_a 8.939 _cell_length_b 6.382 _cell_length_c 7.554 _cell_angle_alpha 90 _cell_angle_beta 115.09 _cell_angle_gamma 90 _cell_volume 390.283 _exptl_crystal_density_diffrn 3.930 _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 Na 0.00000 0.50000 0.50000 1.00000 0.02420 Co 0.25000 0.25000 0.00000 1.00000 0.01110 Se 0.08896 0.00000 0.29501 1.00000 0.00980 O1 0.18607 0.00000 0.14883 1.00000 0.01430 O2 0.23093 0.00000 0.51570 1.00000 0.01910 O3 -0.02689 0.21186 0.24960 1.00000 0.01410 O-h 0.15206 0.50000 0.08207 1.00000 0.01190 H1 0.05900 0.50000 0.03900 0.50000 0.00600 H2 0.18900 0.50000 0.20000 1.00000 0.03600 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 Na 0.02010 0.03000 0.02420 0.00000 0.01090 0.00000 Co 0.01050 0.01070 0.01190 0.00010 0.00460 -0.00010 Se 0.00870 0.01120 0.00900 0.00000 0.00330 0.00000 O1 0.01750 0.01360 0.01760 0.00000 0.01300 0.00000 O2 0.01770 0.02410 0.01030 0.00000 0.00080 0.00000 O3 0.01190 0.01230 0.01620 0.00290 0.00400 -0.00040 O-h 0.01040 0.01330 0.01260 0.00000 0.00540 0.00000