data_global _chemical_name_mineral 'Maoniupingite-(Ce)' loop_ _publ_author_name 'Yang Z' 'Fleck M' 'Smith M' 'Tao K' 'Song R' 'Zhang P' _journal_name_full 'European Journal of Mineralogy' _journal_volume 14 _journal_year 2002 _journal_page_first 969 _journal_page_last 975 _publ_section_title ; The crystal structure of natural Fe-rich chevkinite-(Ce) ; _database_code_amcsd 0006951 _chemical_formula_sum 'Ce3.686 Ca.14 Fe1.74 Mg.24 Ti2.74 Nb.14 Si4 O22 H1.28' _cell_length_a 13.456 _cell_length_b 5.728 _cell_length_c 11.083 _cell_angle_alpha 90 _cell_angle_beta 100.60 _cell_angle_gamma 90 _cell_volume 839.656 _exptl_crystal_density_diffrn 4.884 _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 CeA1 0.35619 0.00000 0.23436 0.93400 0.01760 CaA1 0.35619 0.00000 0.23436 0.02000 0.01760 CeA2 0.06965 0.00000 0.23967 0.90900 0.02120 CaA2 0.06965 0.00000 0.23967 0.05000 0.02120 FeB 0.50000 0.00000 0.00000 0.55000 0.01880 MgB 0.50000 0.00000 0.00000 0.24000 0.01880 TiB 0.50000 0.00000 0.00000 0.18000 0.01880 FeC1 0.25000 0.25000 0.50000 0.39000 0.01330 TiC1 0.25000 0.25000 0.50000 0.55000 0.01330 NbC1 0.25000 0.25000 0.50000 0.03000 0.01330 FeC2A 0.50000 0.00000 0.50000 0.27000 0.01450 TiC2A 0.50000 0.00000 0.50000 0.66000 0.01450 NbC2A 0.50000 0.00000 0.50000 0.04000 0.01450 FeC2B 0.00000 0.00000 0.50000 0.14000 0.01540 TiC2B 0.00000 0.00000 0.50000 0.80000 0.01540 NbC2B 0.00000 0.00000 0.50000 0.04000 0.01540 Si1 0.20090 -0.50000 0.23140 1.00000 0.01100 Si2 0.35760 -0.50000 0.04660 1.00000 0.01250 O1 0.22810 0.26500 0.31450 1.00000 0.01690 O2 0.47790 0.25420 0.37370 1.00000 0.01650 O3 0.42610 0.27230 0.09350 1.00000 0.02580 O4 0.14620 0.00000 0.47760 1.00000 0.01400 O-H5 0.34760 0.00000 0.48960 0.32000 0.01470 O5 0.34760 0.00000 0.48960 0.68000 0.01470 O-H6 0.08490 -0.50000 0.17180 0.32000 0.03300 O6 0.08490 -0.50000 0.17180 0.68000 0.03300 O7 0.27060 -0.50000 0.12870 1.00000 0.03900 O8 0.18680 0.00000 0.09650 1.00000 0.01770 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 CeA1 0.01550 0.02200 0.01510 0.00000 0.00240 0.00000 CaA1 0.01550 0.02200 0.01510 0.00000 0.00240 0.00000 CeA2 0.01180 0.03940 0.01260 0.00000 0.00300 0.00000 CaA2 0.01180 0.03940 0.01260 0.00000 0.00300 0.00000 FeB 0.02350 0.02060 0.01200 0.00000 0.00210 0.00000 MgB 0.02350 0.02060 0.01200 0.00000 0.00210 0.00000 TiB 0.02350 0.02060 0.01200 0.00000 0.00210 0.00000 FeC1 0.01390 0.01600 0.00960 0.00050 0.00160 0.00010 TiC1 0.01390 0.01600 0.00960 0.00050 0.00160 0.00010 NbC1 0.01390 0.01600 0.00960 0.00050 0.00160 0.00010 FeC2A 0.01500 0.01580 0.01230 0.00000 0.00090 0.00000 TiC2A 0.01500 0.01580 0.01230 0.00000 0.00090 0.00000 NbC2A 0.01500 0.01580 0.01230 0.00000 0.00090 0.00000 FeC2B 0.01490 0.01930 0.01260 0.00000 0.00420 0.00000 TiC2B 0.01490 0.01930 0.01260 0.00000 0.00420 0.00000 NbC2B 0.01490 0.01930 0.01260 0.00000 0.00420 0.00000 Si1 0.01160 0.01210 0.00950 0.00000 0.00230 0.00000 Si2 0.01320 0.01660 0.00800 0.00000 0.00260 0.00000 O1 0.02500 0.01400 0.01100 0.00200 0.00200 0.00100 O2 0.01500 0.02100 0.01500 -0.00300 0.00400 -0.00200 O3 0.03200 0.02600 0.01900 0.01200 0.00100 0.00200 O4 0.01200 0.01700 0.01400 0.00000 0.00600 0.00000 O-H5 0.01100 0.01500 0.01700 0.00000 0.00000 0.00000 O5 0.01100 0.01500 0.01700 0.00000 0.00000 0.00000 O-H6 0.01300 0.06600 0.02000 0.00000 -0.00200 0.00000 O6 0.01300 0.06600 0.02000 0.00000 -0.00200 0.00000 O7 0.03100 0.06800 0.02400 0.00000 0.01900 0.00000 O8 0.01900 0.02200 0.01200 0.00000 0.00200 0.00000