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_02 ; _database_code_amcsd 0020003 _chemical_compound_source 'Hundholmen pegmatite, Tysfjord granite, Norway' _chemical_formula_sum '(Ca1.072 Ce2.928) (Al3.221 Fe.779) Si5 O22 H2' _cell_length_a 8.9110 _cell_length_b 5.6866 _cell_length_c 17.5252 _cell_angle_alpha 90 _cell_angle_beta 116.300 _cell_angle_gamma 90 _cell_volume 796.133 _exptl_crystal_density_diffrn 4.497 _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 0.73221 0.25000 0.40998 0.95900 0.01820 CeA1 0.73221 0.25000 0.40998 0.04100 0.01820 CeA2 0.89185 0.25000 0.24954 0.97900 0.01540 CaA2 0.89185 0.25000 0.24954 0.02100 0.01540 CeA3 0.73949 0.25000 0.00968 0.95800 0.03114 CaA3 0.73949 0.25000 0.00968 0.04200 0.03114 CeA4 0.07839 0.75000 0.16574 0.95000 0.01481 CaA4 0.07839 0.75000 0.16574 0.05000 0.01481 AlM1 0.50000 0.50000 0.50000 0.99100 0.01120 FeM1 0.50000 0.50000 0.50000 0.00900 0.01120 AlM2 0.48133 0.00050 0.20530 0.97300 0.01130 FeM2 0.48133 0.00050 0.20530 0.02700 0.01130 FeM3 0.19501 0.75000 0.37640 0.71600 0.01390 AlM3 0.19501 0.75000 0.37640 0.28400 0.01390 Si1 0.16250 0.25000 0.47736 1.00000 0.01070 Si2 0.80550 0.75000 0.33574 1.00000 0.01040 Si3 0.30500 0.25000 0.31262 1.00000 0.00950 Si4 0.66970 0.75000 0.10297 1.00000 0.01180 Si5 0.15529 0.25000 0.07759 1.00000 0.00920 O1 0.26740 0.49010 0.48240 1.00000 0.01650 O2 0.17930 0.47500 0.28970 1.00000 0.01630 O3 0.69430 -0.01300 0.29800 1.00000 0.01480 O4 0.44210 0.75000 0.42480 1.00000 0.01240 O5 0.44960 0.25000 0.41280 1.00000 0.01330 O6 0.41880 0.25000 0.26010 1.00000 0.01260 O7 -0.01660 0.25000 0.39670 1.00000 0.01520 O8 -0.04350 0.75000 0.31140 1.00000 0.02900 O9 0.87230 0.75000 0.43860 1.00000 0.02250 O-H10 0.55800 0.25000 0.16240 1.00000 0.01040 O11 0.40370 0.75000 0.24840 1.00000 0.01170 O12 0.53910 0.75000 0.14740 1.00000 0.01120 O13 0.26850 0.49070 0.11040 1.00000 0.01570 O14 0.79420 0.52430 0.13210 1.00000 0.02000 O15 0.54960 0.81770 0.00330 0.50000 0.02170 O16 0.06130 0.25000 -0.02290 1.00000 0.04190 O17 0.02330 0.25000 0.11640 1.00000 0.02940 H1 0.43400 0.75000 0.32500 1.00000 0.00400 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 0.02310 0.01780 0.01720 0.00000 0.01220 0.00000 CeA1 0.02310 0.01780 0.01720 0.00000 0.01220 0.00000 CeA2 0.01329 0.02040 0.01099 0.00000 0.00399 0.00000 CaA2 0.01329 0.02040 0.01099 0.00000 0.00399 0.00000 CeA3 0.02200 0.05810 0.00980 0.00000 0.00387 0.00000 CaA3 0.02200 0.05810 0.00980 0.00000 0.00387 0.00000 CeA4 0.01237 0.01970 0.01113 0.00000 0.00412 0.00000 CaA4 0.01237 0.01970 0.01113 0.00000 0.00412 0.00000 AlM1 0.00960 0.01150 0.01170 0.00010 0.00380 0.00120 FeM1 0.00960 0.01150 0.01170 0.00010 0.00380 0.00120 AlM2 0.00820 0.01170 0.01330 -0.00010 0.00410 0.00030 FeM2 0.00820 0.01170 0.01330 -0.00010 0.00410 0.00030 FeM3 0.01280 0.01310 0.01360 0.00000 0.00400 0.00000 AlM3 0.01280 0.01310 0.01360 0.00000 0.00400 0.00000 Si1 0.01030 0.01100 0.01020 0.00000 0.00410 0.00000 Si2 0.01030 0.01050 0.01140 0.00000 0.00550 0.00000 Si3 0.00810 0.01260 0.00880 0.00000 0.00480 0.00000 Si4 0.00980 0.01540 0.01200 0.00000 0.00650 0.00000 Si5 0.00810 0.00950 0.00830 0.00000 0.00210 0.00000 O1 0.01210 0.01320 0.02600 -0.00230 0.01000 -0.00610 O2 0.01720 0.01750 0.01720 0.00910 0.01030 0.00550 O3 0.01320 0.00960 0.01480 0.00100 0.00010 -0.00020 O4 0.01050 0.01400 0.01200 0.00000 0.00430 0.00000 O5 0.01600 0.00970 0.01200 0.00000 0.00430 0.00000 O6 0.01400 0.01200 0.01700 0.00000 0.01120 0.00000 O7 0.01300 0.01600 0.01200 0.00000 0.00070 0.00000 O8 0.02600 0.03500 0.03600 0.00000 0.02200 0.00000 O9 0.02600 0.03000 0.01100 0.00000 0.00740 0.00000 O-H10 0.01070 0.00830 0.01100 0.00000 0.00390 0.00000 O11 0.00900 0.01400 0.01300 0.00000 0.00550 0.00000 O12 0.01050 0.00780 0.01700 0.00000 0.00740 0.00000 O13 0.00750 0.01190 0.02150 -0.00070 0.00070 0.00150 O14 0.02170 0.01230 0.03600 0.00450 0.02160 0.00130 O15 0.02200 0.02600 0.01500 0.00400 0.00700 0.00100 O16 0.05300 0.05500 0.00600 0.00000 0.00300 0.00000 O17 0.01600 0.04600 0.03300 0.00000 0.01800 0.00000