data_global _chemical_name_mineral 'Allanite-subgroup mineral' loop_ _publ_author_name 'Bonazzi P' 'Holtstam D' 'Bindi L' 'Nysten P' 'Capitani G' _journal_name_full 'American Mineralogist' _journal_volume 94 _journal_year 2009 _journal_page_first 121 _journal_page_last 134 _publ_section_title ; Multi-analytical approach to solve the puzzle of an allanite-subgroup mineral from Kesebol, Vastra Gotaland, Sweden Note: K5 sample ; _database_code_amcsd 0004807 _chemical_compound_source 'Kesebol, Vastra Gotaland, Sweden' _chemical_formula_sum 'Mn2.3 Ca.7 Ce.78 Fe.14 Al1.08 Si3 O13' _cell_length_a 8.953 _cell_length_b 5.763 _cell_length_c 10.186 _cell_angle_alpha 90 _cell_angle_beta 114.42 _cell_angle_gamma 90 _cell_volume 478.542 _exptl_crystal_density_diffrn 4.115 _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 MnA1 0.76020 0.75000 0.15245 0.52000 0.01920 CaA1 0.76020 0.75000 0.15245 0.48000 0.01920 CeA2 0.59396 0.75000 0.42667 0.78000 0.01797 CaA2 0.59396 0.75000 0.42667 0.22000 0.01797 FeM2 0.00000 0.00000 0.50000 0.14000 0.01300 AlM2 0.00000 0.00000 0.50000 0.86000 0.01300 MnM1 0.00000 0.00000 0.00000 0.78000 0.01420 AlM1 0.00000 0.00000 0.00000 0.22000 0.01420 MnM3 0.30948 0.25000 0.21307 1.00000 0.01790 Si1 0.34430 0.75000 0.03740 1.00000 0.01280 Si2 0.69140 0.25000 0.27930 1.00000 0.01330 Si3 0.19080 0.75000 0.32540 1.00000 0.01170 O1 0.24020 0.98940 0.02730 1.00000 0.01980 O2 0.31470 0.97290 0.36350 1.00000 0.01810 O3 0.80170 0.01500 0.33320 1.00000 0.02000 O4 0.05780 0.25000 0.13530 1.00000 0.01750 O5 0.04940 0.75000 0.15650 1.00000 0.01700 O6 0.07600 0.75000 0.41690 1.00000 0.01560 O7 0.51310 0.75000 0.17810 1.00000 0.02010 O8 0.55040 0.25000 0.33760 1.00000 0.03160 O9 0.60930 0.25000 0.10270 1.00000 0.02410 O10 0.09110 0.25000 0.43310 1.00000 0.01580 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 MnA1 0.02800 0.01300 0.02100 0.00000 0.01470 0.00000 CaA1 0.02800 0.01300 0.02100 0.00000 0.01470 0.00000 CeA2 0.01410 0.02120 0.01620 0.00000 0.00381 0.00000 CaA2 0.01410 0.02120 0.01620 0.00000 0.00381 0.00000 FeM2 0.01090 0.00990 0.01690 -0.00030 0.00450 -0.00060 AlM2 0.01090 0.00990 0.01690 -0.00030 0.00450 -0.00060 MnM1 0.01190 0.01160 0.01740 -0.00120 0.00460 -0.00070 AlM1 0.01190 0.01160 0.01740 -0.00120 0.00460 -0.00070 MnM3 0.01490 0.01440 0.01730 0.00000 -0.00030 0.00000 Si1 0.01240 0.01010 0.01380 0.00000 0.00320 0.00000 Si2 0.01270 0.01070 0.01580 0.00000 0.00520 0.00000 Si3 0.01060 0.01080 0.01370 0.00000 0.00510 0.00000 O1 0.01840 0.01260 0.02800 0.00210 0.00950 0.00180 O2 0.01680 0.01800 0.01900 -0.00340 0.00630 -0.00050 O3 0.01820 0.01120 0.02300 0.00050 0.00090 -0.00180 O4 0.01700 0.01300 0.01900 0.00000 0.00400 0.00000 O5 0.01700 0.01600 0.01600 0.00000 0.00400 0.00000 O6 0.01500 0.01400 0.02100 0.00000 0.01100 0.00000 O7 0.01900 0.02000 0.01500 0.00000 0.00100 0.00000 O8 0.02100 0.05000 0.03000 0.00000 0.01700 0.00000 O9 0.02300 0.03000 0.01900 0.00000 0.00900 0.00000 O10 0.01300 0.01500 0.02000 0.00000 0.00800 0.00000