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_09 ; _database_code_amcsd 0019996 _chemical_compound_source 'Stetind pegmatite, Tysfjord granite, Norway' _chemical_formula_sum '(Ca1.225 Ce2.775) (Al3.433 Fe.567) Si5 O22 H2' _cell_length_a 8.9310 _cell_length_b 5.6574 _cell_length_c 17.6000 _cell_angle_alpha 90 _cell_angle_beta 116.517 _cell_angle_gamma 90 _cell_volume 795.713 _exptl_crystal_density_diffrn 4.410 _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 0.73170 0.25000 0.41031 0.94700 0.02530 CeA1 0.73170 0.25000 0.41031 0.05300 0.02530 CeA2 0.88957 0.25000 0.24985 0.92200 0.01981 CaA2 0.88957 0.25000 0.24985 0.07800 0.01981 CeA3 0.73976 0.25000 0.01017 0.91300 0.03620 CaA3 0.73976 0.25000 0.01017 0.08700 0.03620 CeA4 0.08087 0.75000 0.16464 0.88700 0.01985 CaA4 0.08087 0.75000 0.16464 0.11300 0.01985 AlM1 0.50000 0.50000 0.50000 0.97900 0.01500 FeM1 0.50000 0.50000 0.50000 0.02100 0.01500 AlM2 0.48248 0.00020 0.20517 0.95100 0.01500 FeM2 0.48248 0.00020 0.20517 0.04900 0.01500 FeM3 0.19880 0.75000 0.37601 0.44800 0.02170 AlM3 0.19880 0.75000 0.37601 0.55200 0.02170 Si1 0.16200 0.25000 0.47562 1.00000 0.01410 Si2 0.80840 0.75000 0.33730 1.00000 0.01310 Si3 0.30690 0.25000 0.31357 1.00000 0.01180 Si4 0.67220 0.75000 0.10404 1.00000 0.01580 Si5 0.15610 0.25000 0.07737 1.00000 0.01320 O1 0.26510 0.49140 0.47760 1.00000 0.02150 O2 0.18390 0.48090 0.29170 1.00000 0.02170 O3 0.69830 0.98700 0.29670 1.00000 0.01930 O4 0.44160 0.75000 0.42430 1.00000 0.01620 O5 0.45240 0.25000 0.41370 1.00000 0.01480 O6 0.41980 0.25000 0.26010 1.00000 0.01510 O7 -0.01880 0.25000 0.39780 1.00000 0.02270 O8 -0.03040 0.75000 0.32170 1.00000 0.03840 O9 0.86470 0.75000 0.43880 1.00000 0.03080 O-H10 0.55720 0.25000 0.16280 1.00000 0.01440 O11 0.40620 0.75000 0.24780 1.00000 0.01500 O12 0.54020 0.75000 0.14750 1.00000 0.01410 O13 0.27000 0.49000 0.11050 1.00000 0.01830 O14 0.79650 -0.02320 0.13350 1.00000 0.02500 O15 0.55700 0.68080 0.00420 0.50000 0.02900 O16 0.06330 0.25000 -0.02360 1.00000 0.05100 O17 0.02440 0.25000 0.11700 1.00000 0.04110 H1 0.41600 0.75000 0.29500 1.00000 0.03000 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 0.02820 0.02210 0.02630 0.00000 0.01290 0.00000 CeA1 0.02820 0.02210 0.02630 0.00000 0.01290 0.00000 CeA2 0.01590 0.02220 0.01760 0.00000 0.00410 0.00000 CaA2 0.01590 0.02220 0.01760 0.00000 0.00410 0.00000 CeA3 0.02620 0.06160 0.01490 0.00000 0.00380 0.00000 CaA3 0.02620 0.06160 0.01490 0.00000 0.00380 0.00000 CeA4 0.01540 0.02440 0.01670 0.00000 0.00450 0.00000 CaA4 0.01540 0.02440 0.01670 0.00000 0.00450 0.00000 AlM1 0.01110 0.01150 0.02000 -0.00010 0.00490 -0.00110 FeM1 0.01110 0.01150 0.02000 -0.00010 0.00490 -0.00110 AlM2 0.00970 0.01370 0.01940 0.00000 0.00460 0.00030 FeM2 0.00970 0.01370 0.01940 0.00000 0.00460 0.00030 FeM3 0.01880 0.01590 0.02840 0.00000 0.00860 0.00000 AlM3 0.01880 0.01590 0.02840 0.00000 0.00860 0.00000 Si1 0.01200 0.01220 0.01730 0.00000 0.00580 0.00000 Si2 0.01160 0.01120 0.01740 0.00000 0.00730 0.00000 Si3 0.00710 0.01410 0.01460 0.00000 0.00530 0.00000 Si4 0.01280 0.01800 0.01780 0.00000 0.00780 0.00000 Si5 0.01120 0.01090 0.01330 0.00000 0.00180 0.00000 O1 0.01600 0.01600 0.03600 -0.00420 0.01480 -0.00790 O2 0.01700 0.02600 0.02600 0.00950 0.01360 0.00580 O3 0.01190 0.01100 0.02700 0.00030 0.00100 -0.00040 O4 0.01300 0.01600 0.01800 0.00000 0.00600 0.00000 O5 0.01800 0.01400 0.01300 0.00000 0.00800 0.00000 O6 0.01600 0.01300 0.02200 0.00000 0.01400 0.00000 O7 0.00700 0.01700 0.03000 0.00000 -0.00400 0.00000 O8 0.04000 0.03600 0.06300 0.00000 0.04300 0.00000 O9 0.03100 0.04300 0.02100 0.00000 0.01300 0.00000 O-H10 0.01300 0.01000 0.01900 0.00000 0.00700 0.00000 O11 0.00900 0.01200 0.02000 0.00000 0.00300 0.00000 O12 0.01100 0.00800 0.02400 0.00000 0.00900 0.00000 O13 0.00910 0.01120 0.02700 -0.00110 0.00150 0.00090 O14 0.02500 0.01700 0.04100 -0.00460 0.02100 -0.00380 O15 0.03300 0.03500 0.02200 -0.01200 0.01500 -0.00600 O16 0.06500 0.06100 0.01100 0.00000 0.00300 0.00000 O17 0.01900 0.06000 0.05200 0.00000 0.02300 0.00000