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: K1 sample ; _database_code_amcsd 0004804 _chemical_compound_source 'Kesebol, Vastra Gotaland, Sweden' _chemical_formula_sum 'Mn2.383 Ca.606 Ce.774 Fe.159 Al1.078 Si3 O13' _cell_length_a 8.971 _cell_length_b 5.766 _cell_length_c 10.224 _cell_angle_alpha 90 _cell_angle_beta 114.53 _cell_angle_gamma 90 _cell_volume 481.122 _exptl_crystal_density_diffrn 4.100 _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 0.75985 0.75000 0.15222 0.61930 0.02178 CaA1 0.75985 0.75000 0.15222 0.38070 0.02178 CaA2 0.59423 0.75000 0.42645 0.22580 0.02141 CeA2 0.59423 0.75000 0.42645 0.77420 0.02141 FeM2 0.00000 0.00000 0.50000 0.15852 0.01538 AlM2 0.00000 0.00000 0.50000 0.84148 0.01538 AlM1 0.00000 0.00000 0.00000 0.23598 0.01651 MnM1 0.00000 0.00000 0.00000 0.76402 0.01651 MnM3 0.31013 0.25000 0.21314 0.99986 0.02142 AlM3 0.31013 0.25000 0.21314 0.00014 0.02142 Si1 0.34385 0.75000 0.03730 1.00000 0.01433 Si2 0.69137 0.25000 0.27868 1.00000 0.01585 Si3 0.19087 0.75000 0.32538 1.00000 0.01333 O1 0.23974 0.98871 0.02674 1.00000 0.02247 O2 0.31498 0.97286 0.36406 1.00000 0.01994 O3 0.80163 0.01596 0.33303 1.00000 0.02261 O4 0.05807 0.25000 0.13451 1.00000 0.02065 O5 0.04948 0.75000 0.15619 1.00000 0.01874 O6 0.07589 0.75000 0.41641 1.00000 0.01690 O7 0.51235 0.75000 0.17830 1.00000 0.02358 O8 0.55043 0.25000 0.33622 1.00000 0.03773 O9 0.60860 0.25000 0.10132 1.00000 0.02686 O10 0.09171 0.25000 0.43407 1.00000 0.01820 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 0.03375 0.01573 0.02174 0.00000 0.01737 0.00000 CaA1 0.03375 0.01573 0.02174 0.00000 0.01737 0.00000 CaA2 0.01791 0.02704 0.01675 0.00000 0.00468 0.00000 CeA2 0.01791 0.02704 0.01675 0.00000 0.00468 0.00000 FeM2 0.01492 0.01219 0.01748 0.00065 0.00519 -0.00090 AlM2 0.01492 0.01219 0.01748 0.00065 0.00519 -0.00090 AlM1 0.01548 0.01439 0.01877 -0.00084 0.00624 -0.00006 MnM1 0.01548 0.01439 0.01877 -0.00084 0.00624 -0.00006 MnM3 0.01974 0.01817 0.01810 0.00000 -0.00038 0.00000 AlM3 0.01974 0.01817 0.01810 0.00000 -0.00038 0.00000 Si1 0.01449 0.01261 0.01406 0.00000 0.00409 0.00000 Si2 0.01681 0.01415 0.01621 0.00000 0.00649 0.00000 Si3 0.01347 0.01377 0.01373 0.00000 0.00664 0.00000 O1 0.02123 0.01641 0.03057 0.00177 0.01155 0.00211 O2 0.02173 0.01838 0.02108 -0.00371 0.01025 -0.00051 O3 0.02025 0.01498 0.02364 0.00068 0.00017 -0.00247 O4 0.01810 0.01966 0.02123 0.00000 0.00522 0.00000 O5 0.01857 0.02014 0.01642 0.00000 0.00619 0.00000 O6 0.01789 0.01587 0.01905 0.00000 0.00979 0.00000 O7 0.02418 0.02267 0.01800 0.00000 0.00286 0.00000 O8 0.02722 0.06057 0.03215 0.00000 0.01905 0.00000 O9 0.02717 0.03407 0.01970 0.00000 0.01008 0.00000 O10 0.01721 0.01752 0.02085 0.00000 0.00889 0.00000