data_global _chemical_name_mineral 'Piergorite-(Ce)' loop_ _publ_author_name 'Boiocchi M' 'Callegari A' 'Ottolini L' _journal_name_full 'American Mineralogist' _journal_volume 91 _journal_year 2006 _journal_page_first 1170 _journal_page_last 1177 _publ_section_title ; The crystal structure of piergorite-(Ce), Ca8Ce2(Al0.5Fe3+0.5)Sum1(X,Li,Be)2Si6B8O36(OH,F)2: A new borosilicate from Vetralla, Italy, with a modified hellandite-type chain ; _database_code_amcsd 0004179 _chemical_compound_source 'Vetralla, Italy' _chemical_formula_sum 'Ca8.6 Ce1.1 Th.3 (Al.49 Fe.35 Ti.16) Be.54 Li.3 Si6 B8 O37.76 (F.24 H1.76)' _cell_length_a 28.097 _cell_length_b 4.777 _cell_length_c 10.236 _cell_angle_alpha 90 _cell_angle_beta 96.81 _cell_angle_gamma 90 _cell_volume 1364.177 _exptl_crystal_density_diffrn 3.606 _symmetry_space_group_name_H-M 'P 1 2/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,y,-z' '1/2+x,-y,z' '-x,-y,-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 CaM3A 0.16010 -0.00880 -0.11850 0.98000 0.00800 CeM3A 0.16010 -0.00880 -0.11850 0.02000 0.00800 CaM3B 0.15800 -0.00670 -0.44450 0.99000 0.00850 CeM3B 0.15800 -0.00670 -0.44450 0.01000 0.00850 CaM4A 0.10090 0.03420 0.20680 0.99000 0.00890 CeM4A 0.10090 0.03420 0.20680 0.01000 0.00890 CaM4B 0.21880 0.00920 0.24010 0.95000 0.00710 CeM4B 0.21880 0.00920 0.24010 0.05000 0.00710 CeM2 0.02710 -0.02070 -0.32480 0.46000 0.00590 CaM2 0.02710 -0.02070 -0.32480 0.39000 0.00590 ThM2 0.02710 -0.02070 -0.32480 0.15000 0.00590 AlM1 0.00000 0.00000 0.00000 0.49000 0.00720 Fe3+M1 0.00000 0.00000 0.00000 0.35000 0.00720 TiM1 0.00000 0.00000 0.00000 0.16000 0.00720 BeT 0.02420 0.45900 0.16710 0.27000 0.00460 LiT 0.02420 0.45900 0.16710 0.15000 0.00460 Si1A 0.07200 -0.49990 -0.06360 1.00000 0.00650 Si1B 0.25000 -0.49670 0.50000 1.00000 0.00600 Si2A 0.25000 0.48460 0.00000 1.00000 0.00670 Si2B 0.06680 -0.47970 0.44000 1.00000 0.00570 B1A 0.20550 0.46330 -0.26880 1.00000 0.01270 B1B 0.10900 0.46830 -0.30240 1.00000 0.00750 B2A 0.15940 -0.45970 0.35160 1.00000 0.00410 B2B 0.16100 -0.46670 0.08870 1.00000 0.00460 O1 0.20520 -0.32060 0.03690 1.00000 0.00670 O2 0.23070 0.30550 -0.13300 1.00000 0.01480 O3 0.20410 -0.31070 0.43480 1.00000 0.00790 O4 0.23100 0.31490 -0.38030 1.00000 0.00880 O5 0.02890 -0.24180 0.46860 1.00000 0.00930 O6 0.08320 0.33130 -0.42560 1.00000 0.00800 O7 0.11590 -0.32140 0.40180 1.00000 0.00690 O8 0.04640 0.31150 0.32200 1.00000 0.01440 O9 0.03290 -0.26050 -0.11120 1.00000 0.01810 O10 0.08460 0.32390 -0.19230 1.00000 0.01040 O11 0.05370 0.27080 0.03610 1.00000 0.01720 O12 0.11880 -0.33080 0.00400 1.00000 0.00800 O13 0.16140 0.24060 0.08120 1.00000 0.00660 O14 0.16010 0.24810 0.36180 1.00000 0.00620 O15 0.10660 -0.23800 -0.29980 1.00000 0.00750 O16 0.15940 -0.34050 0.21950 1.00000 0.00630 O17 0.20990 -0.24570 -0.26580 1.00000 0.00720 O18 0.15750 0.34370 -0.28520 1.00000 0.00680 O-H19 0.02410 -0.19440 0.16150 0.88000 0.00950 F19 0.02410 -0.19440 0.16150 0.12000 0.00950