data_global _chemical_name_mineral 'Cebaite-(La)' loop_ _publ_author_name 'Mercier N' 'Leblanc M' _journal_name_full 'European Journal of Solid State and Inorganic Chemistry' _journal_volume 30 _journal_year 1993 _journal_page_first 195 _journal_page_last 205 _publ_section_title ; Crystal growth and structures of rare earth fluorocarbonates: I. Structures of Ba Sm (CO3)2F and Ba3La2(CO3)5F2: revision of the corresponding huanghoite and cebaite type structures _cod_database_code 1000471 ; _database_code_amcsd 0012565 _chemical_formula_sum 'Ba3 La2 F2 O15 C5' _cell_length_a 21.47198 _cell_length_b 5.098 _cell_length_c 13.325 _cell_angle_alpha 90 _cell_angle_beta 94.96 _cell_angle_gamma 90 _cell_volume 1453.148 _exptl_crystal_density_diffrn 4.698 _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 Ba1 0.00000 0.00000 0.00000 Ba2 0.19260 0.00000 0.60050 Ba3 0.00000 0.50000 0.50000 Ba4 0.31340 0.00000 0.90490 La1 0.10530 0.00000 0.28800 La2 0.40000 0.00000 0.18510 F1 0.12590 0.00000 0.11210 F2 0.42680 0.00000 0.01410 O1 0.01270 0.28150 0.18630 O2 0.12130 0.28100 0.44250 O3 0.00970 0.00000 0.38710 O4 0.21590 0.21700 0.27530 O5 0.30630 0.00000 0.28120 O6 0.40050 0.00000 0.76660 O7 0.07790 0.21930 0.65790 O8 0.10300 0.00000 0.86870 O9 0.18970 0.22050 0.91720 O10 0.29400 0.00000 0.49670 C1 0.54160 0.00000 0.19970 C2 0.24670 0.00000 0.27570 C3 0.04860 0.00000 0.64520 C4 0.16120 0.00000 0.90360 C5 0.34960 0.00000 0.53970 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 Ba1 0.01480 0.01290 0.00830 0.00000 0.00130 0.00000 Ba2 0.00710 0.00730 0.01000 0.00000 -0.00010 0.00000 Ba3 0.01010 0.00890 0.01080 0.00000 -0.00090 0.00000 Ba4 0.00820 0.00950 0.00810 0.00000 0.00010 0.00000 La1 0.00570 0.00520 0.00740 0.00000 -0.00010 0.00000 La2 0.00550 0.00510 0.00730 0.00000 -0.00010 0.00000 F1 0.02000 0.01730 0.01430 0.00000 0.00260 0.00000 F2 0.01390 0.02320 0.01220 0.00000 0.00170 0.00000 O1 0.00930 0.00730 0.01600 -0.00200 -0.00050 -0.00020 O2 0.02060 0.00980 0.01450 -0.00640 -0.00100 -0.00190 O3 0.00700 0.02120 0.01640 0.00000 -0.00230 0.00000 O4 0.01290 0.00610 0.02180 0.00100 -0.00270 0.00010 O5 0.00770 0.02420 0.01550 0.00000 0.00110 0.00000 O6 0.00620 0.01340 0.01400 0.00000 -0.00130 0.00000 O7 0.01410 0.01240 0.01290 -0.00380 0.00140 -0.00230 O8 0.01040 0.01070 0.01770 0.00000 -0.00450 0.00000 O9 0.01090 0.00820 0.01760 -0.00130 -0.00170 -0.00160 O10 0.01160 0.01670 0.01570 0.00000 -0.00070 0.00000 C1 0.00640 0.00840 0.00830 0.00000 0.00120 0.00000 C2 0.00970 0.00830 0.00960 0.00000 -0.00220 0.00000 C3 0.00900 0.00770 0.00770 0.00000 -0.00080 0.00000 C4 0.00910 0.00800 0.01100 0.00000 -0.00040 0.00000 C5 0.01010 0.00980 0.00820 0.00000 0.00170 0.00000