data_global _chemical_name_mineral 'Sabinaite' loop_ _publ_author_name 'McDonald A M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 811 _journal_page_last 815 _publ_section_title ; The crystal structure of sabinaite, Na4Zr2TiO4(CO3)4 ; _database_code_amcsd 0005502 _chemical_compound_source 'Mont St-Hilaire, Quebec, Canada' _chemical_formula_sum 'Na4 Zr2 Ti C4 O16' _cell_length_a 10.196 _cell_length_b 6.616 _cell_length_c 17.958 _cell_angle_alpha 90 _cell_angle_beta 94.14 _cell_angle_gamma 90 _cell_volume 1208.227 _exptl_crystal_density_diffrn 3.443 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-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 Na1 0.89710 0.55930 0.41840 Na2 0.87210 0.08740 0.43350 Zr 0.69160 0.31230 0.24780 Ti 0.00000 0.30790 0.25000 C1 0.14990 0.35120 0.39960 C2 0.59420 0.33530 0.38340 O1 0.03740 0.30730 0.36430 O2 0.71950 0.33160 0.37230 O3 0.13600 0.50340 0.24000 O4 0.86380 0.12070 0.26300 O5 0.15470 0.43060 0.46240 O6 0.51950 0.30910 0.32150 O7 0.25930 0.31590 0.36730 O8 0.54880 0.35680 0.44500 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 Na1 0.01790 0.01620 0.01600 0.00160 0.00080 0.00050 Na2 0.01780 0.01680 0.02100 0.00110 -0.00570 -0.00240 Zr 0.00490 0.00450 0.00630 0.00010 0.00060 0.00010 Ti 0.00480 0.00520 0.00900 0.00000 0.00060 0.00000 C1 0.01200 0.00870 0.01070 0.00080 0.00130 0.00160 C2 0.01070 0.00780 0.00930 0.00050 0.00130 -0.00020 O1 0.00820 0.01890 0.01110 0.00020 0.00120 0.00060 O2 0.00890 0.01810 0.01010 -0.00080 0.00080 0.00000 O3 0.00900 0.00490 0.01340 0.00090 0.00100 0.00070 O4 0.00630 0.00550 0.01600 -0.00020 -0.00040 -0.00050 O5 0.01990 0.03000 0.01270 -0.00350 0.00470 -0.00720 O6 0.00890 0.01270 0.00880 -0.00050 0.00040 -0.00100 O7 0.00870 0.01430 0.00950 0.00090 0.00110 0.00040 O8 0.01590 0.02630 0.00920 0.00220 0.00300 -0.00260