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: K4 sample ; _database_code_amcsd 0004806 _chemical_compound_source 'Kesebol, Vastra Gotaland, Sweden' _chemical_formula_sum 'Mn2.391 Ca.604 Ce.747 Fe.143 Al1.116 Si3 O13' _cell_length_a 8.958 _cell_length_b 5.764 _cell_length_c 10.205 _cell_angle_alpha 90 _cell_angle_beta 114.50 _cell_angle_gamma 90 _cell_volume 479.480 _exptl_crystal_density_diffrn 4.090 _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 0.75942 0.75000 0.15215 0.64898 0.02151 CaA1 0.75942 0.75000 0.15215 0.35102 0.02151 CaA2 0.59417 0.75000 0.42654 0.25308 0.02112 CeA2 0.59417 0.75000 0.42654 0.74692 0.02112 FeM2 0.00000 0.00000 0.50000 0.14258 0.01527 AlM2 0.00000 0.00000 0.50000 0.85742 0.01527 AlM1 0.00000 0.00000 0.00000 0.25804 0.01644 MnM1 0.00000 0.00000 0.00000 0.74196 0.01644 MnM3 0.30992 0.25000 0.21352 0.99958 0.02137 AlM3 0.30992 0.25000 0.21352 0.00042 0.02137 Si1 0.34409 0.75000 0.03730 1.00000 0.01507 Si2 0.69156 0.25000 0.27856 1.00000 0.01566 Si3 0.19083 0.75000 0.32537 1.00000 0.01384 O1 0.23978 0.98962 0.02730 1.00000 0.02324 O2 0.31488 0.97360 0.36311 1.00000 0.02000 O3 0.80196 0.01497 0.33236 1.00000 0.02250 O4 0.05865 0.25000 0.13505 1.00000 0.02007 O5 0.04912 0.75000 0.15548 1.00000 0.01787 O6 0.07660 0.75000 0.41758 1.00000 0.01781 O7 0.51251 0.75000 0.17833 1.00000 0.02343 O8 0.54933 0.25000 0.33542 1.00000 0.03581 O9 0.60853 0.25000 0.10177 1.00000 0.02744 O10 0.09191 0.25000 0.43368 1.00000 0.01871 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 0.03263 0.01567 0.02246 0.00000 0.01764 0.00000 CaA1 0.03263 0.01567 0.02246 0.00000 0.01764 0.00000 CaA2 0.01789 0.02661 0.01683 0.00000 0.00518 0.00000 CeA2 0.01789 0.02661 0.01683 0.00000 0.00518 0.00000 FeM2 0.01557 0.01235 0.01750 0.00063 0.00647 -0.00029 AlM2 0.01557 0.01235 0.01750 0.00063 0.00647 -0.00029 AlM1 0.01610 0.01419 0.01865 -0.00082 0.00683 -0.00064 MnM1 0.01610 0.01419 0.01865 -0.00082 0.00683 -0.00064 MnM3 0.01980 0.01796 0.01912 0.00000 0.00087 0.00000 AlM3 0.01980 0.01796 0.01912 0.00000 0.00087 0.00000 Si1 0.01498 0.01327 0.01596 0.00000 0.00541 0.00000 Si2 0.01646 0.01419 0.01682 0.00000 0.00739 0.00000 Si3 0.01386 0.01404 0.01481 0.00000 0.00713 0.00000 O1 0.02328 0.01578 0.03195 0.00365 0.01273 0.00219 O2 0.02182 0.02008 0.01980 -0.00439 0.01032 -0.00082 O3 0.02127 0.01406 0.02471 0.00155 0.00209 -0.00175 O4 0.01836 0.01778 0.02277 0.00000 0.00722 0.00000 O5 0.01764 0.01840 0.01688 0.00000 0.00647 0.00000 O6 0.01716 0.01769 0.02359 0.00000 0.01345 0.00000 O7 0.01831 0.02649 0.01759 0.00000 -0.00045 0.00000 O8 0.02661 0.05602 0.03255 0.00000 0.01999 0.00000 O9 0.02932 0.03348 0.01993 0.00000 0.01062 0.00000 O10 0.01902 0.01676 0.02242 0.00000 0.01066 0.00000