data_global _chemical_name_mineral 'Alnaperboeite-(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: ST3_01 ; _database_code_amcsd 0019997 _chemical_compound_source 'Stetind pegmatite, Tysfjord granite, Norway' _chemical_formula_sum '(Ca1.211 Ce2.789) (Al3.476 Fe.524) Si5 O22 H2' _cell_length_a 8.9205 _cell_length_b 5.6573 _cell_length_c 17.5715 _cell_angle_alpha 90 _cell_angle_beta 116.500 _cell_angle_gamma 90 _cell_volume 793.594 _exptl_crystal_density_diffrn 4.423 _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 0.73172 0.25000 0.40975 0.94700 0.02340 CeA1 0.73172 0.25000 0.40975 0.05300 0.02340 CeA2 0.89009 0.25000 0.24994 0.92600 0.02004 CaA2 0.89009 0.25000 0.24994 0.07400 0.02004 CeA3 0.73994 0.25000 0.01007 0.92300 0.03740 CaA3 0.73994 0.25000 0.01007 0.07700 0.03740 CeA4 0.08081 0.75000 0.16486 0.88700 0.01994 CaA4 0.08081 0.75000 0.16486 0.11300 0.01994 AlM1 0.50000 0.50000 0.50000 0.98600 0.01480 FeM1 0.50000 0.50000 0.50000 0.01400 0.01480 AlM2 0.48239 -0.00010 0.20518 0.97200 0.01410 FeM2 0.48239 -0.00010 0.20518 0.02800 0.01410 FeM3 0.19783 0.75000 0.37592 0.45400 0.01950 AlM3 0.19783 0.75000 0.37592 0.54600 0.01950 Si1 0.16240 0.25000 0.47604 1.00000 0.01400 Si2 0.80760 0.75000 0.33676 1.00000 0.01370 Si3 0.30660 0.25000 0.31347 1.00000 0.01330 Si4 0.67220 0.75000 0.10419 1.00000 0.01550 Si5 0.15580 0.25000 0.07729 1.00000 0.01320 O1 0.26590 0.49050 0.47890 1.00000 0.02110 O2 0.18290 0.47980 0.29170 1.00000 0.02170 O3 0.69640 0.98780 0.29680 1.00000 0.01960 O4 0.44240 0.75000 0.42440 1.00000 0.01460 O5 0.45260 0.25000 0.41410 1.00000 0.01490 O6 0.41890 0.25000 0.25960 1.00000 0.01520 O7 -0.01750 0.25000 0.39720 1.00000 0.02150 O8 -0.03320 0.75000 0.31950 1.00000 0.03850 O9 0.86630 0.75000 0.43910 1.00000 0.03190 O-H10 0.55690 0.25000 0.16250 1.00000 0.01280 O11 0.40480 0.75000 0.24750 1.00000 0.01740 O12 0.54100 0.75000 0.14710 1.00000 0.01440 O13 0.26980 0.49090 0.11060 1.00000 0.01870 O14 0.79670 -0.02370 0.13370 1.00000 0.02680 O15 0.55470 0.68220 0.00400 0.50000 0.03100 O16 0.06230 0.25000 -0.02360 1.00000 0.05300 O17 0.02460 0.25000 0.11760 1.00000 0.03870 H1 0.43300 0.75000 0.30900 1.00000 0.04000 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 0.02850 0.02260 0.02090 0.00000 0.01250 0.00000 CeA1 0.02850 0.02260 0.02090 0.00000 0.01250 0.00000 CeA2 0.01750 0.02310 0.01480 0.00000 0.00298 0.00000 CaA2 0.01750 0.02310 0.01480 0.00000 0.00298 0.00000 CeA3 0.03020 0.06210 0.01260 0.00000 0.00290 0.00000 CaA3 0.03020 0.06210 0.01260 0.00000 0.00290 0.00000 CeA4 0.01710 0.02480 0.01410 0.00000 0.00350 0.00000 CaA4 0.01710 0.02480 0.01410 0.00000 0.00350 0.00000 AlM1 0.01340 0.01300 0.01500 0.00050 0.00360 0.00020 FeM1 0.01340 0.01300 0.01500 0.00050 0.00360 0.00020 AlM2 0.01050 0.01300 0.01530 -0.00020 0.00270 -0.00020 FeM2 0.01050 0.01300 0.01530 -0.00020 0.00270 -0.00020 FeM3 0.01840 0.01630 0.01880 0.00000 0.00370 0.00000 AlM3 0.01840 0.01630 0.01880 0.00000 0.00370 0.00000 Si1 0.01250 0.01370 0.01400 0.00000 0.00430 0.00000 Si2 0.01430 0.01080 0.01590 0.00000 0.00650 0.00000 Si3 0.01100 0.01500 0.01270 0.00000 0.00430 0.00000 Si4 0.01560 0.01540 0.01540 0.00000 0.00660 0.00000 Si5 0.01110 0.01030 0.01420 0.00000 0.00210 0.00000 O1 0.01760 0.01680 0.03100 -0.00410 0.01220 -0.00640 O2 0.01980 0.02800 0.01900 0.00900 0.01040 0.00270 O3 0.01550 0.01370 0.02200 -0.00160 0.00130 -0.00400 O4 0.01400 0.01500 0.01500 0.00000 0.00700 0.00000 O5 0.01500 0.01500 0.01300 0.00000 0.00440 0.00000 O6 0.01300 0.01700 0.01700 0.00000 0.00800 0.00000 O7 0.01500 0.01400 0.02200 0.00000 -0.00400 0.00000 O8 0.04500 0.03000 0.06300 0.00000 0.04400 0.00000 O9 0.03400 0.04000 0.01900 0.00000 0.01000 0.00000 O-H10 0.01200 0.01100 0.01600 0.00000 0.00670 0.00000 O11 0.01100 0.01500 0.02100 0.00000 0.00300 0.00000 O12 0.01100 0.01300 0.01900 0.00000 0.00750 0.00000 O13 0.01320 0.01180 0.02200 -0.00250 0.00020 0.00240 O14 0.02900 0.01780 0.04000 -0.00530 0.02100 -0.00240 O15 0.04200 0.02900 0.01800 -0.00600 0.00900 -0.00700 O16 0.06500 0.06200 0.01200 0.00000 -0.00100 0.00000 O17 0.02400 0.06100 0.03800 0.00000 0.02000 0.00000