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: K5-700 sample, annealing ex situ under inert atmosphere ; _database_code_amcsd 0004809 _chemical_compound_source 'Kesebol, Vastra Gotaland, Sweden' _chemical_formula_sum 'Mn2.3 Ca.7 Ce.78 Fe.14 Al1.08 Si3 O13 H' _cell_length_a 8.925 _cell_length_b 5.744 _cell_length_c 10.158 _cell_angle_alpha 90 _cell_angle_beta 114.46 _cell_angle_gamma 90 _cell_volume 474.015 _exptl_crystal_density_diffrn 4.161 _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 0.76071 0.75000 0.15180 0.52000 0.01160 CaA1 0.76071 0.75000 0.15180 0.48000 0.01160 CeA2 0.59496 0.75000 0.42657 0.78000 0.01164 CaA2 0.59496 0.75000 0.42657 0.22000 0.01164 FeM2 0.00000 0.00000 0.50000 0.14000 0.00830 AlM2 0.00000 0.00000 0.50000 0.86000 0.00830 MnM1 0.00000 0.00000 0.00000 0.78000 0.00880 AlM1 0.00000 0.00000 0.00000 0.22000 0.00880 MnM3 0.30626 0.25000 0.21377 1.00000 0.00972 Si1 0.34464 0.75000 0.03876 1.00000 0.00790 Si2 0.68996 0.25000 0.27864 1.00000 0.00780 Si3 0.19090 0.75000 0.32504 1.00000 0.00670 O1 0.24090 0.98980 0.02920 1.00000 0.01290 O2 0.31480 0.97330 0.36340 1.00000 0.01100 O3 0.80040 0.01490 0.33340 1.00000 0.01280 O4 0.05620 0.25000 0.13390 1.00000 0.01080 O5 0.04970 0.75000 0.15610 1.00000 0.01020 O6 0.07570 0.75000 0.41660 1.00000 0.01060 O7 0.51430 0.75000 0.17860 1.00000 0.01340 O8 0.54860 0.25000 0.33590 1.00000 0.02200 O9 0.60980 0.25000 0.10160 1.00000 0.01740 O10 0.09130 0.25000 0.43290 1.00000 0.01030 H 0.01800 0.25000 0.29300 1.00000 0.02000 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 0.01770 0.00940 0.01070 0.00000 0.00880 0.00000 CaA1 0.01770 0.00940 0.01070 0.00000 0.00880 0.00000 CeA2 0.00907 0.01519 0.00884 0.00000 0.00190 0.00000 CaA2 0.00907 0.01519 0.00884 0.00000 0.00190 0.00000 FeM2 0.00690 0.00700 0.00940 0.00010 0.00190 -0.00040 AlM2 0.00690 0.00700 0.00940 0.00010 0.00190 -0.00040 MnM1 0.00730 0.00840 0.00940 -0.00060 0.00230 -0.00060 AlM1 0.00730 0.00840 0.00940 -0.00060 0.00230 -0.00060 MnM3 0.00730 0.00950 0.00840 0.00000 -0.00070 0.00000 Si1 0.00750 0.00690 0.00790 0.00000 0.00190 0.00000 Si2 0.00650 0.00820 0.00850 0.00000 0.00280 0.00000 Si3 0.00540 0.00740 0.00700 0.00000 0.00240 0.00000 O1 0.01130 0.00890 0.01860 0.00220 0.00640 0.00090 O2 0.00980 0.01140 0.01140 -0.00260 0.00390 -0.00100 O3 0.01030 0.00760 0.01500 0.00030 -0.00020 -0.00130 O4 0.00990 0.01030 0.01070 0.00000 0.00270 0.00000 O5 0.00900 0.01050 0.00910 0.00000 0.00180 0.00000 O6 0.01090 0.01040 0.01340 0.00000 0.00780 0.00000 O7 0.01100 0.01600 0.00870 0.00000 -0.00040 0.00000 O8 0.01340 0.03800 0.02000 0.00000 0.01170 0.00000 O9 0.01740 0.02700 0.00930 0.00000 0.00640 0.00000 O10 0.00880 0.01020 0.01260 0.00000 0.00510 0.00000