data_global _chemical_name_mineral 'Vicanite-(Ce)' loop_ _publ_author_name 'Ballirano P' 'Callegari A' 'Caucia F' 'Maras A' 'Mazzi F' 'Ungaretti L' _journal_name_full 'American Mineralogist' _journal_volume 87 _journal_year 2002 _journal_page_first 1139 _journal_page_last 1143 _publ_section_title ; The crystal structure of vicanite - (Ce), a borosilicate showing an unusual (Si3B3O18) polyanion ; _database_code_amcsd 0002883 _chemical_formula_sum 'Ce2.328 Ca8.01 La2.214 Th2.448 (Fe.823 Al.177) Si6 B4 As1.19 P.227 Na.583 O38.461 F8.749 H.42' _cell_length_a 10.8112 _cell_length_b 10.8112 _cell_length_c 27.3296 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 2766.379 _exptl_crystal_density_diffrn 4.820 _symmetry_space_group_name_H-M 'R 3 m' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' 'x,x-y,z' '2/3+x,1/3+x-y,1/3+z' '1/3+x,2/3+x-y,2/3+z' '-y,-x,z' '2/3-y,1/3-x,1/3+z' '1/3-y,2/3-x,2/3+z' '-x+y,y,z' '2/3-x+y,1/3+y,1/3+z' '1/3-x+y,2/3+y,2/3+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-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 CeM1 -0.13188 0.13188 -0.31881 0.75100 0.00960 CaM1 -0.13188 0.13188 -0.31881 0.24900 0.00960 LaM2 -0.13794 0.13794 0.09655 0.73800 0.01210 CaM2 -0.13794 0.13794 0.09655 0.26200 0.01210 CaM3 0.11490 -0.11490 -0.09790 0.99200 0.01490 CeM3 0.11490 -0.11490 -0.09790 0.00800 0.01490 CaM4 0.13025 -0.13025 0.46683 0.98300 0.01510 CeM4 0.13025 -0.13025 0.46683 0.01700 0.01510 ThM5 0.14125 -0.14125 0.21736 0.81600 0.00880 CaM5 0.14125 -0.14125 0.21736 0.18400 0.00880 Fe 0.00000 0.00000 0.00000 0.82300 0.00640 Al 0.00000 0.00000 0.00000 0.17700 0.00640 Si1 0.16920 -0.16920 0.04310 1.00000 0.00870 Si2 -0.17010 0.17010 -0.04040 1.00000 0.00840 B1 -0.07800 0.07800 0.29260 1.00000 0.00980 B2 0.00000 0.00000 0.14670 1.00000 0.01560 As1 0.00000 0.00000 -0.21070 0.77300 0.00880 P1 0.00000 0.00000 -0.21070 0.22700 0.00880 As2 0.00000 0.00000 -0.45760 0.41700 0.00740 Na 0.00000 0.00000 -0.42640 0.58300 0.02380 O1 0.08210 -0.08210 0.04520 1.00000 0.01110 O2 0.18670 -0.18670 -0.01490 1.00000 0.01200 O3 0.32330 -0.06800 0.06940 1.00000 0.01320 O4 -0.08370 0.08370 -0.04900 1.00000 0.01200 O5 -0.19260 0.19260 0.01700 1.00000 0.01240 O6 -0.32770 0.07830 -0.06430 1.00000 0.01510 O7 0.07610 -0.07610 0.30450 1.00000 0.00890 O8 -0.09510 0.09510 0.23890 1.00000 0.00960 O9 0.07280 -0.07280 0.14430 1.00000 0.01350 O10 0.00000 0.00000 -0.14910 1.00000 0.01610 O11 0.16050 0.04600 -0.23320 0.50000 0.01910 O12 -0.08120 0.08120 -0.49220 0.41700 0.01850 F12 -0.08120 0.08120 -0.49220 0.58300 0.01850 F13 0.00000 0.00000 -0.33660 1.00000 0.02580 F14 0.02120 0.30580 -0.16120 1.00000 0.02000 Wat 0.00000 0.00000 0.43500 0.21000 0.02000 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 CeM1 0.00920 0.00920 0.00870 0.00330 0.00070 -0.00070 CaM1 0.00920 0.00920 0.00870 0.00330 0.00070 -0.00070 LaM2 0.01350 0.01350 0.00970 0.00690 -0.00080 0.00080 CaM2 0.01350 0.01350 0.00970 0.00690 -0.00080 0.00080 CaM3 0.01580 0.01580 0.01560 0.00970 0.00180 -0.00180 CeM3 0.01580 0.01580 0.01560 0.00970 0.00180 -0.00180 CaM4 0.01320 0.01320 0.01110 0.00080 0.00200 -0.00200 CeM4 0.01320 0.01320 0.01110 0.00080 0.00200 -0.00200 ThM5 0.00820 0.00820 0.00880 0.00330 -0.00020 0.00020 CaM5 0.00820 0.00820 0.00880 0.00330 -0.00020 0.00020 Fe 0.00700 0.00700 0.00510 0.00350 0.00000 0.00000 Al 0.00700 0.00700 0.00510 0.00350 0.00000 0.00000 Si1 0.00910 0.00910 0.00910 0.00550 -0.00010 0.00010 Si2 0.00830 0.00830 0.00890 0.00430 0.00010 -0.00010 B1 0.01110 0.01110 0.00760 0.00580 -0.00060 0.00060 B2 0.01430 0.01430 0.01820 0.00720 0.00000 0.00000 As1 0.00920 0.00920 0.00780 0.00460 0.00000 0.00000 P1 0.00920 0.00920 0.00780 0.00460 0.00000 0.00000 As2 0.00780 0.00780 0.00670 0.00390 0.00000 0.00000 Na 0.03110 0.03110 0.00910 0.01560 0.00000 0.00000 O1 0.01160 0.01160 0.01350 0.00820 0.00020 -0.00020 O2 0.01640 0.01640 0.00890 0.01240 0.00130 -0.00130 O3 0.01220 0.01370 0.01320 0.00600 -0.00330 -0.00170 O4 0.01100 0.01100 0.01570 0.00690 -0.00010 0.00010 O5 0.01440 0.01440 0.00950 0.00800 -0.00030 0.00030 O6 0.01080 0.01450 0.01420 0.00200 -0.00330 -0.00100 O7 0.00810 0.00810 0.01140 0.00490 -0.00030 0.00030 O8 0.01220 0.01220 0.00780 0.00870 -0.00090 0.00090 O9 0.01520 0.01520 0.01330 0.00990 -0.00050 0.00050 O10 0.01530 0.01530 0.01750 0.00770 0.00000 0.00000 O11 0.01250 0.02890 0.01470 0.00940 -0.00060 -0.00080 O12 0.01560 0.01560 0.02390 0.00740 0.00010 -0.00010 F12 0.01560 0.01560 0.02390 0.00740 0.00010 -0.00010 F13 0.01740 0.01740 0.04250 0.00870 0.00000 0.00000 F14 0.01650 0.01970 0.02350 0.00880 -0.00720 -0.00170