data_global _chemical_name_mineral 'Dingdaohengite-(Ce)' loop_ _publ_author_name 'Li G' 'Yang G' 'Ma Z' 'Shi N' 'Xiong M' 'Sheng G' 'Fan H' _journal_name_full 'Kuangwu Xuebao' _journal_volume 25 _journal_year 2005 _journal_page_first 313 _journal_page_last 320 _publ_section_title ; The crystal structure of a new mineral dingdaohengite-(Ce) ; _database_code_amcsd 0014198 _chemical_compound_source 'Bayun Obo, Inner Mongolia, China' _chemical_formula_sum '(Ce2.1 La1.46 Ca.44) Fe1.72 Ti2.84 Mg.4 Nb.04 Si4 O22' _cell_length_a 13.4656 _cell_length_b 5.7356 _cell_length_c 11.0977 _cell_angle_alpha 90 _cell_angle_beta 100.636 _cell_angle_gamma 90 _cell_volume 842.386 _exptl_crystal_density_diffrn 4.827 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy CeA1 0.43027 0.51328 0.76028 0.52500 LaA1 0.43027 0.51328 0.76028 0.36500 CaA1 0.43027 0.51328 0.76028 0.11000 CeA2 0.14386 0.49202 0.76557 0.52500 LaA2 0.14386 0.49202 0.76557 0.36500 CaA2 0.14386 0.49202 0.76557 0.11000 FeB 0.00000 0.50000 0.50000 1.00000 TiC1 0.25198 0.25110 0.50003 0.44000 Fe2+C1 0.25198 0.25110 0.50003 0.23000 MgC1 0.25198 0.25110 0.50003 0.20000 Fe3+C1 0.25198 0.25110 0.50003 0.13000 TiC2A 0.50000 0.50000 0.50000 0.99000 NbC2A 0.50000 0.50000 0.50000 0.01000 TiC2B 0.50000 0.00000 0.00000 0.97000 NbC2B 0.50000 0.00000 0.00000 0.03000 Si1 0.29919 0.00060 0.76859 1.00000 Si2 0.35776 0.49980 0.04651 1.00000 O1 0.52190 0.25670 0.62670 1.00000 O2 0.52280 0.74660 0.62650 1.00000 O3 0.42120 0.26440 0.09430 1.00000 O4 0.43070 0.72080 0.09340 1.00000 O5 0.27530 0.23570 0.68500 1.00000 O6 0.26860 0.76740 0.68570 1.00000 O7 0.35430 0.50360 0.52260 1.00000 O8 0.31370 0.50350 0.90330 1.00000 O9 0.15210 0.49850 0.51080 1.00000 O10 0.22960 0.01840 0.87130 1.00000 O11 0.41520 -0.01780 0.82800 1.00000 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 0.01400 0.02800 0.01500 0.00000 0.00300 0.00100 LaA1 0.01400 0.02800 0.01500 0.00000 0.00300 0.00100 CaA1 0.01400 0.02800 0.01500 0.00000 0.00300 0.00100 CeA2 0.01800 0.01600 0.01700 0.00000 0.00300 -0.00100 LaA2 0.01800 0.01600 0.01700 0.00000 0.00300 -0.00100 CaA2 0.01800 0.01600 0.01700 0.00000 0.00300 -0.00100 FeB 0.01700 0.01300 0.01400 0.00000 0.00000 0.00000 TiC1 0.01500 0.01200 0.01300 0.00000 0.00200 0.00000 Fe2+C1 0.01500 0.01200 0.01300 0.00000 0.00200 0.00000 MgC1 0.01500 0.01200 0.01300 0.00000 0.00200 0.00000 Fe3+C1 0.01500 0.01200 0.01300 0.00000 0.00200 0.00000 TiC2A 0.01500 0.01400 0.01400 0.00000 0.00400 0.00000 NbC2A 0.01500 0.01400 0.01400 0.00000 0.00400 0.00000 TiC2B 0.02500 0.01500 0.01200 0.00000 0.00300 0.00000 NbC2B 0.02500 0.01500 0.01200 0.00000 0.00300 0.00000 Si1 0.01600 0.01000 0.01400 0.00100 0.00300 0.00100 Si2 0.01700 0.01400 0.01200 0.00000 0.00300 0.00000 O1 0.01600 0.02100 0.01800 0.00300 0.00500 0.00300 O2 0.01600 0.02100 0.02000 0.00400 0.00600 0.00200 O3 0.02700 0.02300 0.02400 0.00700 0.00200 0.00300 O4 0.03000 0.02700 0.02100 0.01100 0.00100 0.00300 O5 0.02700 0.01200 0.01400 0.00100 0.00400 0.00000 O6 0.02600 0.01300 0.01500 0.00000 0.00300 0.00100 O7 0.01700 0.01400 0.01700 0.00000 0.00500 0.00100 O8 0.02500 0.01700 0.01600 0.00000 0.00300 0.00100 O9 0.01700 0.01300 0.02000 0.00200 0.00400 0.00000 O10 0.03900 0.05100 0.02600 -0.00500 0.01900 0.00300 O11 0.01900 0.05100 0.02300 0.00000 0.00100 0.00100