data_global _chemical_name_mineral 'Parisite-(Ce)' loop_ _publ_author_name 'Ni Y' 'Post J E' 'Hughes J M' _journal_name_full 'American Mineralogist' _journal_volume 85 _journal_year 2000 _journal_page_first 251 _journal_page_last 258 _publ_section_title ; The crystal structure of parisite-(Ce), Ce2CaF(CO3)3 sample: from Muso Mine, Columbia ; _database_code_amcsd 0002349 _chemical_formula_sum 'Ce2.023 Ca.977 F2 O9 C3' _cell_length_a 12.3049 _cell_length_b 7.1056 _cell_length_c 28.2478 _cell_angle_alpha 90 _cell_angle_beta 98.2416 _cell_angle_gamma 90 _cell_volume 2444.302 _exptl_crystal_density_diffrn 4.408 _symmetry_space_group_name_H-M 'C 1 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' 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 Ce1 0.47300 0.24480 0.16300 1.00000 0.00400 Ce2 0.80237 0.25190 0.16344 1.00000 0.00620 Ce3 0.14029 0.25470 0.16362 1.00000 0.00260 Ce4 0.52991 0.24330 0.33671 1.00000 0.00440 Ce5 0.19867 0.25220 0.33687 1.00000 0.00240 Ce6 0.85919 0.24870 0.33632 1.00000 0.00680 Ca1 0.08380 0.26000 -0.00010 0.97000 0.00240 Ce1 0.08380 0.26000 -0.00010 0.03000 0.00240 Ca2 0.41300 0.25430 0.99960 0.98000 0.00290 Ce2 0.41300 0.25430 0.99960 0.02000 0.00290 Ca3 0.74710 0.24340 0.00080 0.98000 0.00320 Ce3 0.74710 0.24340 0.00080 0.02000 0.00320 F1 0.97000 0.08300 0.16330 1.00000 0.00800 F2 0.29810 0.08200 0.14810 1.00000 0.00600 F3 0.64500 0.08400 0.17990 1.00000 0.01500 F4 0.02800 0.08000 0.33840 1.00000 0.00900 F5 0.69040 0.08000 0.32130 1.00000 0.00600 F6 0.36800 0.08600 0.35350 1.00000 0.01500 O11 0.39000 0.31700 0.08030 1.00000 0.01600 O12 0.24300 0.42700 0.03780 1.00000 0.01400 O13 0.26400 0.44700 0.11470 1.00000 0.01900 O21 0.09800 0.13400 0.08010 1.00000 0.01100 O22 0.59100 0.38200 0.03430 1.00000 0.01900 O23 0.62100 0.34700 0.11160 1.00000 0.01500 O31 0.83800 0.29800 0.07930 1.00000 0.01200 O32 0.98500 0.44500 0.11290 1.00000 0.01100 O33 0.94100 0.43100 0.03280 1.00000 0.01400 O41 0.10600 0.29500 0.25100 1.00000 0.01100 O42 0.95900 0.43500 0.21140 1.00000 0.01700 O43 0.98500 0.43600 0.28840 1.00000 0.01700 O51 0.83600 0.13200 0.25080 1.00000 0.01800 O52 0.34800 0.37900 0.29160 1.00000 0.01100 O53 0.32400 0.36400 0.21180 1.00000 0.01000 O61 0.55500 0.31900 0.25050 1.00000 0.00800 O62 0.70000 0.44700 0.29060 1.00000 0.01000 O63 0.67900 0.45300 0.21130 1.00000 0.00900 O71 0.95100 0.29200 0.42050 1.00000 0.01800 O72 0.07900 0.44300 0.38570 1.00000 0.00600 O73 0.08360 0.43200 0.46780 1.00000 0.00300 O81 0.50500 0.31500 0.42180 1.00000 0.02400 O82 0.34600 0.44900 0.38990 1.00000 0.01300 O83 0.39610 0.42500 0.46950 1.00000 0.00300 O91 0.71000 0.34700 0.38770 1.00000 0.01100 O92 0.21100 0.13400 0.42190 1.00000 0.00900 O93 0.73700 0.39300 0.46870 1.00000 0.00700 C1 0.29300 0.40300 0.07680 1.00000 0.01800 C2 0.60800 0.45300 0.07440 1.00000 0.00600 C3 0.92000 0.39500 0.07630 1.00000 0.00200 C4 0.01200 0.38900 0.25200 1.00000 0.01700 C5 0.34100 0.45300 0.25050 1.00000 0.00900 C6 0.64600 0.40700 0.24920 1.00000 0.00500 C7 0.03800 0.39300 0.42340 1.00000 0.00100 C8 0.40600 0.40300 0.42580 1.00000 0.01300 C9 0.72300 0.44700 0.42400 1.00000 0.01200