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: K2 sample ; _database_code_amcsd 0004805 _chemical_compound_source 'Kesebol, Vastra Gotaland, Sweden' _chemical_formula_sum 'Mn2.326 Ca.646 Ce.735 Fe.153 Al1.138 Si3 O13' _cell_length_a 8.943 _cell_length_b 5.768 _cell_length_c 10.195 _cell_angle_alpha 90 _cell_angle_beta 114.42 _cell_angle_gamma 90 _cell_volume 478.844 _exptl_crystal_density_diffrn 4.080 _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 0.75964 0.75000 0.15194 0.61828 0.02279 CaA1 0.75964 0.75000 0.15194 0.38172 0.02279 CeA2 0.59410 0.75000 0.42632 0.73530 0.02174 CaA2 0.59410 0.75000 0.42632 0.26470 0.02174 FeM2 0.00000 0.00000 0.50000 0.15348 0.01694 AlM2 0.00000 0.00000 0.50000 0.84652 0.01694 AlM1 0.00000 0.00000 0.00000 0.28730 0.01747 MnM1 0.00000 0.00000 0.00000 0.71270 0.01747 MnM3 0.30962 0.25000 0.21349 0.99544 0.02213 AlM3 0.30962 0.25000 0.21349 0.00456 0.02213 Si1 0.34438 0.75000 0.03787 1.00000 0.01588 Si2 0.69149 0.25000 0.27847 1.00000 0.01715 Si3 0.19044 0.75000 0.32513 1.00000 0.01454 O1 0.24009 0.98935 0.02760 1.00000 0.02371 O2 0.31387 0.97345 0.36316 1.00000 0.02285 O3 0.80123 0.01557 0.33193 1.00000 0.02298 O4 0.05825 0.25000 0.13506 1.00000 0.02337 O5 0.04918 0.75000 0.15562 1.00000 0.02065 O6 0.07584 0.75000 0.41702 1.00000 0.01953 O7 0.51255 0.75000 0.17764 1.00000 0.02563 O8 0.54890 0.25000 0.33404 1.00000 0.03959 O9 0.60920 0.25000 0.10193 1.00000 0.02846 O10 0.09094 0.25000 0.43312 1.00000 0.02007 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 0.03535 0.01653 0.02311 0.00000 0.01873 0.00000 CaA1 0.03535 0.01653 0.02311 0.00000 0.01873 0.00000 CeA2 0.01926 0.02626 0.01878 0.00000 0.00693 0.00000 CaA2 0.01926 0.02626 0.01878 0.00000 0.00693 0.00000 FeM2 0.01740 0.01435 0.01895 -0.00084 0.00738 -0.00003 AlM2 0.01740 0.01435 0.01895 -0.00084 0.00738 -0.00003 AlM1 0.01719 0.01483 0.02109 -0.00104 0.00862 -0.00113 MnM1 0.01719 0.01483 0.02109 -0.00104 0.00862 -0.00113 MnM3 0.02152 0.01798 0.02097 0.00000 0.00285 0.00000 AlM3 0.02152 0.01798 0.02097 0.00000 0.00285 0.00000 Si1 0.01620 0.01434 0.01653 0.00000 0.00619 0.00000 Si2 0.01893 0.01420 0.02004 0.00000 0.00978 0.00000 Si3 0.01570 0.01428 0.01617 0.00000 0.00915 0.00000 O1 0.02372 0.01472 0.03463 0.00122 0.01402 0.00279 O2 0.02463 0.02241 0.02361 -0.00294 0.01208 -0.00374 O3 0.02137 0.01703 0.02395 -0.00076 0.00275 0.00125 O4 0.02324 0.01968 0.02693 0.00000 0.01011 0.00000 O5 0.02231 0.01960 0.02073 0.00000 0.00958 0.00000 O6 0.02127 0.01643 0.02585 0.00000 0.01471 0.00000 O7 0.02623 0.02526 0.02168 0.00000 0.00618 0.00000 O8 0.03725 0.05858 0.03453 0.00000 0.02647 0.00000 O9 0.03176 0.03639 0.01869 0.00000 0.01189 0.00000 O10 0.02124 0.01686 0.02476 0.00000 0.01218 0.00000