data_global _chemical_name_mineral 'Stillwellite-(Ce)' loop_ _publ_author_name 'Burns P C' 'Hawthorne F C' 'MacDonald D J' 'Ventura G D' 'Parodi G' _journal_name_full 'The Canadian Mineralogist' _journal_volume 31 _journal_year 1993 _journal_page_first 147 _journal_page_last 152 _publ_section_title ; The crystal structure of stillwellite ; _database_code_amcsd 0005293 _chemical_formula_sum 'Ce.49 La.35 Nd.07 Th.05 Pr.03 Ca.01 Sm.01 Si B O6' _cell_length_a 6.841 _cell_length_b 6.841 _cell_length_c 6.702 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 271.628 _exptl_crystal_density_diffrn 5.135 _symmetry_space_group_name_H-M 'P 31' loop_ _space_group_symop_operation_xyz 'x,y,z' '-y,x-y,1/3+z' '-x+y,-x,2/3+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 Ce 0.41184 -0.00016 0.00000 0.49000 0.00420 La 0.41184 -0.00016 0.00000 0.35000 0.00420 Nd 0.41184 -0.00016 0.00000 0.07000 0.00420 Th 0.41184 -0.00016 0.00000 0.05000 0.00420 Pr 0.41184 -0.00016 0.00000 0.03000 0.00420 Ca 0.41184 -0.00016 0.00000 0.01000 0.00420 Sm 0.41184 -0.00016 0.00000 0.01000 0.00420 Si 0.41670 0.00010 -0.50080 1.00000 0.00260 B -0.11040 0.00050 0.00600 1.00000 0.01630 O1 0.14160 -0.39610 -0.00420 1.00000 0.00850 O2 0.53400 0.39490 0.00380 1.00000 0.00860 O3a -0.00370 0.05620 -0.78250 1.00000 0.00620 O3b 0.05430 -0.00120 0.11940 1.00000 0.00620 O4 0.65710 -0.19450 0.02140 1.00000 0.00570 O5 0.84930 0.19630 -0.02420 1.00000 0.00620 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 Ce 0.00500 0.00400 0.00330 0.00200 -0.00020 -0.00020 La 0.00500 0.00400 0.00330 0.00200 -0.00020 -0.00020 Nd 0.00500 0.00400 0.00330 0.00200 -0.00020 -0.00020 Th 0.00500 0.00400 0.00330 0.00200 -0.00020 -0.00020 Pr 0.00500 0.00400 0.00330 0.00200 -0.00020 -0.00020 Ca 0.00500 0.00400 0.00330 0.00200 -0.00020 -0.00020 Sm 0.00500 0.00400 0.00330 0.00200 -0.00020 -0.00020 Si 0.00310 0.00400 0.00090 0.00200 0.00000 -0.00040 B 0.00410 0.01740 0.03330 0.00970 0.01320 0.02090 O1 0.01140 0.00720 0.00510 0.00330 -0.00110 -0.00170 O2 0.01490 0.00580 0.00510 0.00500 -0.00030 -0.00230 O3a 0.00840 0.00630 0.00280 0.00280 0.00170 0.00190 O3b 0.00840 0.00630 0.00280 0.00280 0.00170 0.00190 O4 0.00600 0.00490 0.00560 0.00220 -0.00130 0.00180 O5 0.00750 0.00290 0.00780 0.00240 0.00360 0.00390