data_global _chemical_name_mineral 'Ferriallanite-(Ce)' loop_ _publ_author_name 'Kartashov P M' 'Ferraris G' 'Ivaldi G' 'Sokolova E V' 'McCammon C A' _journal_name_full 'The Canadian Mineralogist' _journal_volume 41 _journal_year 2003 _journal_page_first 829 _journal_page_last 830 _publ_section_title ; Ferriallanite-(Ce), CaCeFeAlFe(SiO4)(Si2O7)O(OH), a new member of the epidote group: Description, X-ray and Mossbauer study: Errata Note: supercedes data from The Canadian Mineralogist 40 (2002) 1641-1648 ; _database_code_amcsd 0005860 _chemical_formula_sum '(Ca1.08 Ce.92) Si2.94 Al.68 Fe2.17 Ti.14 Mn.07 O13 H' _cell_length_a 8.962 _cell_length_b 5.836 _cell_length_c 10.182 _cell_angle_alpha 90 _cell_angle_beta 115.02 _cell_angle_gamma 90 _cell_volume 482.568 _exptl_crystal_density_diffrn 4.225 _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 0.75593 0.75000 0.14914 0.97000 0.01290 CeA1 0.75593 0.75000 0.14914 0.03000 0.01290 CeA2 0.59300 0.75000 0.42969 0.89000 0.01010 CaA2 0.59300 0.75000 0.42969 0.11000 0.01010 Si1 0.34260 0.75000 0.03835 1.00000 0.00690 Si2 0.68540 0.25000 0.27559 1.00000 0.00790 Si3 0.19300 0.75000 0.32639 0.94000 0.00660 Al3 0.19300 0.75000 0.32639 0.06000 0.00660 FeM1 0.00000 0.00000 0.00000 0.80000 0.00680 TiM1 0.00000 0.00000 0.00000 0.14000 0.00680 AlM1 0.00000 0.00000 0.00000 0.06000 0.00680 AlM2 0.00000 0.00000 0.50000 0.56000 0.00770 FeM2 0.00000 0.00000 0.50000 0.44000 0.00770 FeM3 0.30699 0.25000 0.21701 0.93000 0.00950 MnM3 0.30699 0.25000 0.21701 0.07000 0.00950 O1 0.23820 0.98630 0.02560 1.00000 0.01000 O2 0.31690 0.96910 0.36700 1.00000 0.00980 O3 0.79550 0.01780 0.33040 1.00000 0.01250 O4 0.06270 0.25000 0.13740 1.00000 0.00930 O5 0.05250 0.75000 0.15580 1.00000 0.01010 O6 0.07420 0.75000 0.41320 1.00000 0.01040 O7 0.51020 0.75000 0.18140 1.00000 0.01230 O8 0.54450 0.25000 0.33250 1.00000 0.01680 O9 0.60410 0.25000 0.09770 1.00000 0.01440 O10 0.09370 0.25000 0.43160 1.00000 0.01150 H 0.08300 0.25000 0.35800 1.00000 0.05000 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 0.01990 0.00980 0.01390 0.00000 0.01200 0.00000 CeA1 0.01990 0.00980 0.01390 0.00000 0.01200 0.00000 CeA2 0.00730 0.01410 0.00800 0.00000 0.00230 0.00000 CaA2 0.00730 0.01410 0.00800 0.00000 0.00230 0.00000 Si1 0.00600 0.00720 0.00730 0.00000 0.00270 0.00000 Si2 0.00690 0.00830 0.00940 0.00000 0.00430 0.00000 Si3 0.00500 0.00750 0.00740 0.00000 0.00270 0.00000 Al3 0.00500 0.00750 0.00740 0.00000 0.00270 0.00000 FeM1 0.00570 0.00630 0.00840 -0.00010 0.00290 0.00050 TiM1 0.00570 0.00630 0.00840 -0.00010 0.00290 0.00050 AlM1 0.00570 0.00630 0.00840 -0.00010 0.00290 0.00050 AlM2 0.00600 0.00700 0.00930 0.00040 0.00230 -0.00070 FeM2 0.00600 0.00700 0.00930 0.00040 0.00230 -0.00070 FeM3 0.00580 0.01060 0.01000 0.00000 0.00120 0.00000 MnM3 0.00580 0.01060 0.01000 0.00000 0.00120 0.00000 O1 0.00880 0.00680 0.01600 0.00100 0.00680 0.00020 O2 0.00820 0.00970 0.01060 -0.00170 0.00310 0.00030 O3 0.01030 0.00770 0.01520 0.00040 0.00130 -0.00120 O4 0.00750 0.01070 0.00790 0.00000 0.00160 0.00000 O5 0.00980 0.01090 0.00850 0.00000 0.00300 0.00000 O6 0.00980 0.01180 0.01300 0.00000 0.00750 0.00000 O7 0.01000 0.01500 0.00990 0.00000 0.00200 0.00000 O8 0.00800 0.03200 0.01200 0.00000 0.00550 0.00000 O9 0.01500 0.02000 0.00980 0.00000 0.00640 0.00000 O10 0.01000 0.01400 0.01100 0.00000 0.00540 0.00000