data_global _amcsd_formula_title 'Cs2Cr3O10' loop_ _publ_author_name 'Kolitsch U' _journal_name_full 'Acta Crystallographica, Section E' _journal_volume 59 _journal_year 2003 _journal_page_first i164 _journal_page_last i166 _publ_section_title ; alpha-Cs2Cr3O10 ; _database_code_amcsd 0010415 _chemical_formula_sum 'Cs2 Cr3 O10' _cell_length_a 11.887 _cell_length_b 9.671 _cell_length_c 19.493 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2240.899 _exptl_crystal_density_diffrn 3.449 _symmetry_space_group_name_H-M 'P b c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,-z' '1/2+x,y,1/2-z' '1/2-x,-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 Cs1 0.55125 0.64611 0.41642 0.02978 Cs2 0.22557 0.77409 0.32017 0.03163 Cr1 0.31124 0.50625 -0.02427 0.02531 Cr2 0.37664 0.69456 0.11292 0.02531 Cr3 0.49513 0.50362 0.23263 0.02427 O1 0.35440 0.34990 -0.02371 0.06290 O2 0.18390 0.51290 -0.05239 0.04410 O3 0.38996 0.60220 -0.07125 0.04390 O4 0.31084 0.57240 0.06318 0.03950 O5 0.28273 0.75740 0.16140 0.04910 O6 0.42874 0.81510 0.06763 0.04420 O7 0.48350 0.62420 0.16099 0.03680 O8 0.62195 0.51870 0.26009 0.04130 O9 0.40740 0.54400 0.29248 0.03450 O10 0.47130 0.34858 0.20758 0.04800 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 Cs1 0.03058 0.03135 0.02740 -0.00003 -0.00390 0.00029 Cs2 0.03385 0.02909 0.03193 0.00131 -0.00477 -0.00476 Cr1 0.03152 0.02517 0.01923 0.00092 -0.00251 -0.00123 Cr2 0.02894 0.02843 0.01856 -0.00166 -0.00057 -0.00149 Cr3 0.02743 0.02293 0.02244 -0.00145 0.00058 -0.00026 O1 0.10000 0.03760 0.05070 0.02660 -0.00150 0.00150 O2 0.03710 0.05750 0.03770 -0.01150 -0.01070 0.00510 O3 0.04140 0.05450 0.03590 -0.00950 0.00590 0.00330 O4 0.04810 0.04560 0.02470 -0.01120 -0.00300 -0.00820 O5 0.03980 0.06650 0.04110 0.00410 0.00710 -0.02130 O6 0.05360 0.03530 0.04360 -0.00170 0.00200 0.01230 O7 0.03790 0.04420 0.02820 -0.00160 -0.00450 0.00890 O8 0.03020 0.04610 0.04760 0.00110 -0.00610 0.01270 O9 0.03730 0.03590 0.03040 -0.00050 0.00700 -0.00310 O10 0.07530 0.02960 0.03930 -0.01120 0.01080 -0.01030