data_global _amcsd_formula_title 'K4(CrO4)(NO3)2' loop_ _publ_author_name 'Kolitsch U' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 58 _journal_year 2002 _journal_page_first i88 _journal_page_last i90 _publ_section_title ; K4(CrO4)(NO3)2, the first chromate(VI)-nitrate ; _database_code_amcsd 0010386 _chemical_formula_sum 'K4 Cr N2 O10' _cell_length_a 10.143 _cell_length_b 11.149 _cell_length_c 9.837 _cell_angle_alpha 90 _cell_angle_beta 106.31 _cell_angle_gamma 90 _cell_volume 1067.643 _exptl_crystal_density_diffrn 2.466 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 K1 0.35921 0.12280 0.03356 0.02566 K2 0.36336 0.87896 0.53445 0.02938 K3 0.09503 0.62574 0.61292 0.02560 K4 0.08402 0.12720 0.60806 0.02717 Cr 0.20415 0.88240 0.80931 0.01722 N1 0.15390 0.37197 0.79800 0.02140 N2 0.50700 0.63781 0.76790 0.02610 O1 0.15608 0.46875 0.86197 0.02960 O2 0.14715 0.27453 0.85857 0.02870 O3 0.15162 0.37247 0.66926 0.02910 O4 0.39740 0.58740 0.72750 0.08190 O5 0.54860 0.70990 0.69460 0.06200 O6 0.42160 0.12460 0.60650 0.05080 O7 0.37171 0.89410 0.84750 0.04330 O8 0.15907 0.75791 0.87380 0.02910 O9 0.14067 0.88209 0.63575 0.02420 O10 0.14221 0.99815 0.87589 0.02380 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 K1 0.01860 0.02940 0.02770 -0.00190 0.00430 -0.00080 K2 0.02460 0.03320 0.03180 -0.00040 0.01040 0.00110 K3 0.03400 0.02000 0.02510 -0.00290 0.01200 -0.00120 K4 0.04040 0.01920 0.02090 0.00340 0.00700 0.00020 Cr 0.01780 0.01730 0.01624 0.00061 0.00418 0.00013 N1 0.02720 0.01880 0.01930 -0.00310 0.00850 -0.00130 N2 0.02560 0.02790 0.02570 0.00320 0.00870 0.00050 O1 0.03780 0.02020 0.02970 -0.00370 0.00780 -0.00670 O2 0.03450 0.02170 0.03030 0.00340 0.00990 0.00620 O3 0.03560 0.03040 0.02540 -0.00050 0.01530 0.00070 O4 0.04210 0.10200 0.10400 -0.02790 0.02450 -0.05730 O5 0.09100 0.05660 0.05310 0.01810 0.04420 0.01780 O6 0.06420 0.04680 0.03570 -0.01080 0.00470 -0.00430 O7 0.01570 0.06470 0.04660 -0.00190 0.00390 -0.00520 O8 0.04250 0.01970 0.02710 -0.00120 0.01300 0.00410 O9 0.02750 0.02610 0.01810 -0.00030 0.00490 -0.00160 O10 0.02910 0.02010 0.02310 0.00220 0.00870 -0.00300