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: K3-550 sample ; _database_code_amcsd 0004810 _chemical_compound_source 'Kesebol, Vastra Gotaland, Sweden' _chemical_formula_sum 'Mn2.323 Ca1.151 Ce.241 Fe.172 Al1.113 Si3 O13' _cell_length_a 8.922 _cell_length_b 5.717 _cell_length_c 10.272 _cell_angle_alpha 90 _cell_angle_beta 115.24 _cell_angle_gamma 90 _cell_volume 473.923 _exptl_crystal_density_diffrn 3.780 _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 0.76091 0.75000 0.15059 0.60784 0.01799 CaA1 0.76091 0.75000 0.15059 0.39216 0.01799 CaA2 0.60563 0.75000 0.42478 0.75888 0.01958 CeA2 0.60563 0.75000 0.42478 0.24112 0.01958 FeM2 0.00000 0.00000 0.50000 0.17158 0.01404 AlM2 0.00000 0.00000 0.50000 0.82842 0.01404 AlM1 0.00000 0.00000 0.00000 0.23436 0.01391 MnM1 0.00000 0.00000 0.00000 0.76564 0.01391 MnM3 0.30231 0.25000 0.21924 0.94994 0.01550 AlM3 0.30231 0.25000 0.21924 0.05006 0.01550 Si1 0.34448 0.75000 0.04184 1.00000 0.01294 Si2 0.68920 0.25000 0.27311 1.00000 0.01430 Si3 0.19022 0.75000 0.32387 1.00000 0.01189 O1 0.24108 0.99191 0.03464 1.00000 0.02165 O2 0.31473 0.97641 0.36076 1.00000 0.01791 O3 0.79912 0.01442 0.33091 1.00000 0.02096 O4 0.05879 0.25000 0.13129 1.00000 0.01627 O5 0.04674 0.75000 0.15496 1.00000 0.01726 O6 0.07946 0.75000 0.41656 1.00000 0.01747 O7 0.51719 0.75000 0.17907 1.00000 0.02104 O8 0.54088 0.25000 0.32279 1.00000 0.03243 O9 0.61215 0.25000 0.09779 1.00000 0.02949 O10 0.09220 0.25000 0.43941 1.00000 0.01665 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 0.02476 0.01529 0.01917 0.00000 0.01440 0.00000 CaA1 0.02476 0.01529 0.01917 0.00000 0.01440 0.00000 CaA2 0.01803 0.02297 0.01534 0.00000 0.00482 0.00000 CeA2 0.01803 0.02297 0.01534 0.00000 0.00482 0.00000 FeM2 0.01202 0.01359 0.01549 0.00146 0.00490 -0.00002 AlM2 0.01202 0.01359 0.01549 0.00146 0.00490 -0.00002 AlM1 0.01131 0.01257 0.01596 -0.00071 0.00399 -0.00076 MnM1 0.01131 0.01257 0.01596 -0.00071 0.00399 -0.00076 MnM3 0.01223 0.01446 0.01580 0.00000 0.00213 0.00000 AlM3 0.01223 0.01446 0.01580 0.00000 0.00213 0.00000 Si1 0.01125 0.01239 0.01389 0.00000 0.00411 0.00000 Si2 0.01284 0.01393 0.01657 0.00000 0.00670 0.00000 Si3 0.01024 0.01331 0.01274 0.00000 0.00551 0.00000 O1 0.01794 0.01689 0.03147 0.00262 0.01185 0.00421 O2 0.01595 0.01884 0.01962 -0.00435 0.00823 -0.00280 O3 0.01767 0.01450 0.02302 0.00121 0.00130 -0.00254 O4 0.01522 0.01629 0.01799 0.00000 0.00775 0.00000 O5 0.01407 0.01888 0.01578 0.00000 0.00344 0.00000 O6 0.01869 0.01572 0.02339 0.00000 0.01415 0.00000 O7 0.01776 0.02082 0.01734 0.00000 0.00057 0.00000 O8 0.02443 0.04595 0.03557 0.00000 0.02111 0.00000 O9 0.03210 0.04125 0.01743 0.00000 0.01278 0.00000 O10 0.01511 0.01548 0.02277 0.00000 0.01134 0.00000