data_global _chemical_name_mineral 'Perboeite-(Ce)' loop_ _publ_author_name 'Bonazzi P' 'Lepore G O' 'Bindi L' 'Chopin C' 'Husdal T A' 'Medenbach O' _journal_name_full 'American Mineralogist' _journal_volume 99 _journal_year 2014 _journal_page_first 157 _journal_page_last 169 _publ_section_title ; Perboeite-(Ce) and alnaperboeite-(Ce), two new members of the epidote-tornebohmite polysomatic series: Chemistry, structure, dehydrogenation, and clue for a sodian epidote end-member Sample ID: HU_01 ; _database_code_amcsd 0020005 _chemical_compound_source 'Hundholmen pegmatite, Tysfjord granite, Norway' _chemical_formula_sum '(Ca1.092 Ce2.908) (Al3.15 Fe.85) Si5 O22 H2' _cell_length_a 8.8950 _cell_length_b 5.6827 _cell_length_c 17.5044 _cell_angle_alpha 90 _cell_angle_beta 116.240 _cell_angle_gamma 90 _cell_volume 793.626 _exptl_crystal_density_diffrn 4.512 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+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 CaA1 0.73290 0.25000 0.41004 0.96400 0.01800 CeA1 0.73290 0.25000 0.41004 0.03600 0.01800 CeA2 0.89190 0.25000 0.24953 0.97400 0.01674 CaA2 0.89190 0.25000 0.24953 0.02600 0.01674 CeA3 0.74007 0.25000 0.00964 0.95200 0.03220 CaA3 0.74007 0.25000 0.00964 0.04800 0.03220 CeA4 0.07839 0.75000 0.16573 0.94600 0.01624 CaA4 0.07839 0.75000 0.16573 0.05400 0.01624 AlM1 0.50000 0.50000 0.50000 0.95200 0.01400 FeM1 0.50000 0.50000 0.50000 0.04800 0.01400 AlM2 0.48120 -0.00050 0.20501 0.97000 0.01160 FeM2 0.48120 -0.00050 0.20501 0.03000 0.01160 FeM3 0.19448 0.75000 0.37652 0.74200 0.01620 AlM3 0.19448 0.75000 0.37652 0.25800 0.01620 Si1 0.16200 0.25000 0.47756 1.00000 0.01180 Si2 0.80510 0.75000 0.33553 1.00000 0.01120 Si3 0.30510 0.25000 0.31258 1.00000 0.00970 Si4 0.67020 0.75000 0.10310 1.00000 0.01240 Si5 0.15490 0.25000 0.07757 1.00000 0.01090 O1 0.26730 0.49020 0.48230 1.00000 0.01680 O2 0.18010 0.47560 0.28930 1.00000 0.01560 O3 0.69410 -0.01250 0.29830 1.00000 0.01610 O4 0.44080 0.75000 0.42530 1.00000 0.01370 O5 0.44870 0.25000 0.41260 1.00000 0.01160 O6 0.41810 0.25000 0.25910 1.00000 0.00910 O7 -0.01500 0.25000 0.39760 1.00000 0.01570 O8 -0.04220 0.75000 0.31170 1.00000 0.03210 O9 0.87260 0.75000 0.43840 1.00000 0.02580 O-H10 0.55720 0.25000 0.16260 1.00000 0.01080 O-H11 0.40350 0.75000 0.24990 1.00000 0.01220 O12 0.54140 0.75000 0.14850 1.00000 0.01380 O13 0.26780 0.48960 0.11020 1.00000 0.01560 O14 0.79340 0.52540 0.13160 1.00000 0.02110 O15 0.54990 0.81900 0.00430 0.50000 0.02500 O16 0.06410 0.25000 -0.02230 1.00000 0.04100 O17 0.02190 0.25000 0.11690 1.00000 0.03430 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 CaA1 0.02450 0.01440 0.01860 0.00000 0.01270 0.00000 CeA1 0.02450 0.01440 0.01860 0.00000 0.01270 0.00000 CeA2 0.01370 0.02130 0.01340 0.00000 0.00431 0.00000 CaA2 0.01370 0.02130 0.01340 0.00000 0.00431 0.00000 CeA3 0.02340 0.05730 0.01200 0.00000 0.00440 0.00000 CaA3 0.02340 0.05730 0.01200 0.00000 0.00440 0.00000 CeA4 0.01330 0.02090 0.01290 0.00000 0.00440 0.00000 CaA4 0.01330 0.02090 0.01290 0.00000 0.00440 0.00000 AlM1 0.01450 0.01220 0.01700 0.00370 0.00840 0.00070 FeM1 0.01450 0.01220 0.01700 0.00370 0.00840 0.00070 AlM2 0.00950 0.00960 0.01490 0.00020 0.00450 -0.00010 FeM2 0.00950 0.00960 0.01490 0.00020 0.00450 -0.00010 FeM3 0.01470 0.01410 0.01700 0.00000 0.00450 0.00000 AlM3 0.01470 0.01410 0.01700 0.00000 0.00450 0.00000 Si1 0.01080 0.01160 0.01290 0.00000 0.00510 0.00000 Si2 0.01070 0.00900 0.01560 0.00000 0.00740 0.00000 Si3 0.00680 0.00980 0.01400 0.00000 0.00590 0.00000 Si4 0.01010 0.01550 0.01310 0.00000 0.00640 0.00000 Si5 0.01000 0.00800 0.01180 0.00000 0.00230 0.00000 O1 0.01600 0.01100 0.02600 0.00070 0.01150 -0.00130 O2 0.01800 0.01600 0.01700 0.00670 0.01060 0.00350 O3 0.01600 0.00900 0.02100 0.00040 0.00560 0.00040 O4 0.00700 0.01400 0.01900 0.00000 0.00400 0.00000 O5 0.01100 0.00900 0.01500 0.00000 0.00600 0.00000 O6 0.00800 0.00200 0.02200 0.00000 0.01100 0.00000 O7 0.01000 0.01100 0.01800 0.00000 -0.00100 0.00000 O8 0.03500 0.03100 0.04200 0.00000 0.02700 0.00000 O9 0.02700 0.03400 0.01800 0.00000 0.01100 0.00000 O-H10 0.01000 0.00700 0.01400 0.00000 0.00300 0.00000 O-H11 0.00500 0.00900 0.01900 0.00000 0.00200 0.00000 O12 0.01100 0.01400 0.01900 0.00000 0.00800 0.00000 O13 0.01100 0.00600 0.02500 0.00040 0.00330 0.00110 O14 0.02000 0.01400 0.03400 0.00400 0.01700 0.00100 O15 0.01300 0.03700 0.02000 0.00400 0.00500 0.00500 O16 0.05400 0.04400 0.01500 0.00000 0.00600 0.00000 O17 0.01700 0.05900 0.03900 0.00000 0.02400 0.00000