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: NE_01 ; _database_code_amcsd 0019998 _chemical_compound_source 'Nedre Eivollen pegmatite, Tysfjord granite, Norway' _chemical_formula_sum '(Ca1.21 Ce2.79) (Al3.395 Fe.605) Si5 O22 H2' _cell_length_a 8.9546 _cell_length_b 5.6675 _cell_length_c 17.652 _cell_angle_alpha 90 _cell_angle_beta 116.677 _cell_angle_gamma 90 _cell_volume 800.482 _exptl_crystal_density_diffrn 4.395 _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 0.73210 0.25000 0.40986 0.91800 0.02960 CeA1 0.73210 0.25000 0.40986 0.08200 0.02960 CeA2 0.88953 0.25000 0.25023 0.91000 0.02480 CaA2 0.88953 0.25000 0.25023 0.09000 0.02480 CeA3 0.73973 0.25000 0.01002 0.92100 0.04410 CaA3 0.73973 0.25000 0.01002 0.07900 0.04410 CeA4 0.08213 0.75000 0.16457 0.87700 0.02530 CaA4 0.08213 0.75000 0.16457 0.12300 0.02530 AlM1 0.50000 0.50000 0.50000 0.96700 0.01900 FeM1 0.50000 0.50000 0.50000 0.03300 0.01900 AlM2 0.48230 -0.00040 0.20513 0.95000 0.01860 FeM2 0.48230 -0.00040 0.20513 0.05000 0.01860 FeM3 0.19790 0.75000 0.37598 0.47200 0.02570 AlM3 0.19790 0.75000 0.37598 0.52800 0.02570 Si1 0.16280 0.25000 0.47619 1.00000 0.01660 Si2 0.80780 0.75000 0.33724 1.00000 0.01650 Si3 0.30680 0.25000 0.31369 1.00000 0.01540 Si4 0.67280 0.75000 0.10417 1.00000 0.01900 Si5 0.15640 0.25000 0.07705 1.00000 0.01600 O1 0.26670 0.49020 0.47940 1.00000 0.02590 O2 0.18440 0.47940 0.29240 1.00000 0.02490 O3 0.69570 0.98750 0.29680 1.00000 0.02190 O4 0.44120 0.75000 0.42450 1.00000 0.01750 O5 0.45260 0.25000 0.41360 1.00000 0.02120 O6 0.42030 0.25000 0.26050 1.00000 0.01660 O7 -0.01630 0.25000 0.39830 1.00000 0.02640 O8 -0.02880 0.75000 0.32310 1.00000 0.04000 O9 0.86430 0.75000 0.43830 1.00000 0.03600 O-H10 0.55680 0.25000 0.16280 1.00000 0.01720 O11 0.40400 0.75000 0.24710 1.00000 0.01810 O12 0.54230 0.75000 0.14770 1.00000 0.02050 O13 0.27000 0.48980 0.11010 1.00000 0.02150 O14 0.79570 -0.02360 0.13330 1.00000 0.02970 O15 0.55390 0.68580 0.00300 0.50000 0.03400 O16 0.06330 0.25000 -0.02320 1.00000 0.05700 O17 0.02620 0.25000 0.11590 1.00000 0.04600 H1 0.43800 0.75000 0.31600 1.00000 0.06000 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 0.03440 0.02840 0.02960 0.00000 0.01740 0.00000 CeA1 0.03440 0.02840 0.02960 0.00000 0.01740 0.00000 CeA2 0.02170 0.02820 0.02030 0.00000 0.00570 0.00000 CaA2 0.02170 0.02820 0.02030 0.00000 0.00570 0.00000 CeA3 0.03640 0.07050 0.01760 0.00000 0.00520 0.00000 CaA3 0.03640 0.07050 0.01760 0.00000 0.00520 0.00000 CeA4 0.02050 0.03240 0.01840 0.00000 0.00480 0.00000 CaA4 0.02050 0.03240 0.01840 0.00000 0.00480 0.00000 AlM1 0.01500 0.01720 0.02330 0.00100 0.00720 -0.00160 FeM1 0.01500 0.01720 0.02330 0.00100 0.00720 -0.00160 AlM2 0.01380 0.01690 0.02210 0.00130 0.00550 0.00130 FeM2 0.01380 0.01690 0.02210 0.00130 0.00550 0.00130 FeM3 0.02600 0.01810 0.02960 0.00000 0.00970 0.00000 AlM3 0.02600 0.01810 0.02960 0.00000 0.00970 0.00000 Si1 0.01330 0.01670 0.01940 0.00000 0.00690 0.00000 Si2 0.01430 0.01710 0.01860 0.00000 0.00780 0.00000 Si3 0.01120 0.01770 0.01820 0.00000 0.00750 0.00000 Si4 0.01950 0.02060 0.01920 0.00000 0.01080 0.00000 Si5 0.01310 0.01190 0.01890 0.00000 0.00360 0.00000 O1 0.01900 0.02100 0.03800 -0.00100 0.01200 -0.00600 O2 0.01900 0.03300 0.02600 0.00800 0.01400 0.00300 O3 0.01200 0.01500 0.02700 -0.00200 -0.00100 -0.00400 O4 0.01600 0.02000 0.01900 0.00000 0.01000 0.00000 O5 0.02100 0.02300 0.01900 0.00000 0.00800 0.00000 O6 0.01800 0.01400 0.02300 0.00000 0.01400 0.00000 O7 0.02400 0.00800 0.02500 0.00000 -0.00800 0.00000 O8 0.04600 0.03800 0.05900 0.00000 0.04400 0.00000 O9 0.04300 0.04900 0.02200 0.00000 0.01900 0.00000 O-H10 0.01500 0.01000 0.02300 0.00000 0.00500 0.00000 O11 0.01300 0.01700 0.02100 0.00000 0.00500 0.00000 O12 0.00900 0.01800 0.03400 0.00000 0.01000 0.00000 O13 0.01500 0.01400 0.02700 -0.00140 0.00100 -0.00500 O14 0.02700 0.02500 0.04800 -0.00900 0.02600 -0.00200 O15 0.04100 0.03700 0.01900 -0.01300 0.00900 -0.00400 O16 0.07800 0.05100 0.01800 0.00000 0.00100 0.00000 O17 0.03100 0.06700 0.05500 0.00000 0.03100 0.00000