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: ST4_11 ; _database_code_amcsd 0019995 _chemical_compound_source 'Stetind pegmatite, Tysfjord granite, Norway' _chemical_formula_sum '(Ca1.303 Ce2.697) Al3.544 Fe.456 Si5 O22 H2' _cell_length_a 8.9277 _cell_length_b 5.6548 _cell_length_c 17.5870 _cell_angle_alpha 90 _cell_angle_beta 116.475 _cell_angle_gamma 90 _cell_volume 794.757 _exptl_crystal_density_diffrn 4.369 _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 0.73220 0.25000 0.40969 0.94200 0.02290 CeA1 0.73220 0.25000 0.40969 0.05800 0.02290 CeA2 0.88965 0.25000 0.24991 0.89500 0.01979 CaA2 0.88965 0.25000 0.24991 0.10500 0.01979 CeA3 0.73978 0.25000 0.01013 0.88700 0.03750 CaA3 0.73978 0.25000 0.01013 0.11300 0.03750 CeA4 0.08128 0.75000 0.16453 0.85700 0.01982 CaA4 0.08128 0.75000 0.16453 0.14300 0.01982 AlM1 0.50000 0.50000 0.50000 1.00000 0.01370 AlM2 0.48267 -0.00050 0.20505 0.97300 0.01320 FeM2 0.48267 -0.00050 0.20505 0.02700 0.01320 AlM3 0.19880 0.75000 0.37557 0.59800 0.02070 FeM3 0.19880 0.75000 0.37557 0.40200 0.02070 Si1 0.16270 0.25000 0.47554 1.00000 0.01350 Si2 0.80840 0.75000 0.33735 1.00000 0.01280 Si3 0.30720 0.25000 0.31363 1.00000 0.01220 Si4 0.67230 0.75000 0.10427 1.00000 0.01600 Si5 0.15640 0.25000 0.07730 1.00000 0.01190 O1 0.26680 0.49260 0.47830 1.00000 0.02240 O2 0.18370 0.48020 0.29240 1.00000 0.02170 O3 0.69820 0.98640 0.29690 1.00000 0.01890 O4 0.44130 0.75000 0.42400 1.00000 0.01600 O5 0.45250 0.25000 0.41400 1.00000 0.01540 O6 0.41930 0.25000 0.26030 1.00000 0.01470 O7 -0.01720 0.25000 0.39690 1.00000 0.02180 O8 -0.03110 0.75000 0.32070 1.00000 0.03850 O9 0.86540 0.75000 0.43910 1.00000 0.03360 O-H10 0.55790 0.25000 0.16320 1.00000 0.01460 O-H11 0.40650 0.75000 0.24820 1.00000 0.01780 O12 0.53960 0.75000 0.14710 1.00000 0.01390 O13 0.27020 0.49050 0.11040 1.00000 0.01950 O14 0.79580 -0.02320 0.13340 1.00000 0.02670 O15 0.55500 0.68260 0.00470 0.50000 0.03100 O16 0.06260 0.25000 -0.02320 1.00000 0.05600 O17 0.02350 0.25000 0.11630 1.00000 0.04280 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 0.02830 0.02160 0.02260 0.00000 0.01470 0.00000 CeA1 0.02830 0.02160 0.02260 0.00000 0.01470 0.00000 CeA2 0.01620 0.02360 0.01620 0.00000 0.00421 0.00000 CaA2 0.01620 0.02360 0.01620 0.00000 0.00421 0.00000 CeA3 0.02920 0.06410 0.01340 0.00000 0.00420 0.00000 CaA3 0.02920 0.06410 0.01340 0.00000 0.00420 0.00000 CeA4 0.01550 0.02640 0.01510 0.00000 0.00453 0.00000 CaA4 0.01550 0.02640 0.01510 0.00000 0.00453 0.00000 AlM1 0.01010 0.01340 0.01560 0.00060 0.00380 -0.00030 AlM2 0.00940 0.01220 0.01550 -0.00020 0.00330 -0.00040 FeM2 0.00940 0.01220 0.01550 -0.00020 0.00330 -0.00040 AlM3 0.01860 0.01730 0.02350 0.00000 0.00700 0.00000 FeM3 0.01860 0.01730 0.02350 0.00000 0.00700 0.00000 Si1 0.01070 0.01400 0.01510 0.00000 0.00510 0.00000 Si2 0.01200 0.01210 0.01490 0.00000 0.00640 0.00000 Si3 0.00970 0.01550 0.01280 0.00000 0.00630 0.00000 Si4 0.01400 0.01710 0.01850 0.00000 0.00860 0.00000 Si5 0.00840 0.01060 0.01320 0.00000 0.00180 0.00000 O1 0.01390 0.01640 0.04100 -0.00220 0.01560 -0.00730 O2 0.01780 0.02800 0.02100 0.00900 0.01090 0.00520 O3 0.01370 0.01030 0.02400 -0.00270 0.00020 -0.00270 O4 0.01200 0.01600 0.01800 0.00000 0.00500 0.00000 O5 0.01600 0.01600 0.01300 0.00000 0.00500 0.00000 O6 0.01500 0.01600 0.01800 0.00000 0.01200 0.00000 O7 0.01400 0.01600 0.02400 0.00000 -0.00300 0.00000 O8 0.03400 0.03700 0.06500 0.00000 0.04000 0.00000 O9 0.04000 0.04500 0.01900 0.00000 0.01600 0.00000 O-H10 0.01300 0.01100 0.01800 0.00000 0.00500 0.00000 O-H11 0.01500 0.01200 0.02400 0.00000 0.00700 0.00000 O12 0.01200 0.01300 0.01900 0.00000 0.00900 0.00000 O13 0.01390 0.01180 0.02600 -0.00250 0.00310 0.00020 O14 0.02700 0.02000 0.04400 -0.00760 0.02500 -0.00600 O15 0.04000 0.03600 0.01600 -0.00900 0.01100 -0.00300 O16 0.06900 0.06000 0.01300 0.00000 -0.00600 0.00000 O17 0.02600 0.06500 0.05000 0.00000 0.02800 0.00000