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: K3-600 sample ; _database_code_amcsd 0004811 _chemical_compound_source 'Kesebol, Vastra Gotaland, Sweden' _chemical_formula_sum 'Mn2.242 Ca1.221 Ce.233 Fe.186 Al1.118 Si3 O13' _cell_length_a 8.908 _cell_length_b 5.711 _cell_length_c 10.314 _cell_angle_alpha 90 _cell_angle_beta 115.38 _cell_angle_gamma 90 _cell_volume 474.068 _exptl_crystal_density_diffrn 3.766 _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 0.76168 0.75000 0.15039 0.54656 0.01684 CaA1 0.76168 0.75000 0.15039 0.45344 0.01684 CaA2 0.60820 0.75000 0.42438 0.76712 0.01802 CeA2 0.60820 0.75000 0.42438 0.23288 0.01802 FeM2 0.00000 0.00000 0.50000 0.18596 0.01319 AlM2 0.00000 0.00000 0.50000 0.81404 0.01319 AlM1 0.00000 0.00000 0.00000 0.24310 0.01213 MnM1 0.00000 0.00000 0.00000 0.75690 0.01213 MnM3 0.30147 0.25000 0.22049 0.93882 0.01325 AlM3 0.30147 0.25000 0.22049 0.06118 0.01325 Si1 0.34442 0.75000 0.04252 1.00000 0.01155 Si2 0.68914 0.25000 0.27190 1.00000 0.01318 Si3 0.19046 0.75000 0.32413 1.00000 0.01075 O1 0.24088 0.99254 0.03566 1.00000 0.02022 O2 0.31508 0.97693 0.36053 1.00000 0.01702 O3 0.79955 0.01496 0.33049 1.00000 0.02017 O4 0.05838 0.25000 0.13034 1.00000 0.01493 O5 0.04673 0.75000 0.15481 1.00000 0.01682 O6 0.08076 0.75000 0.41720 1.00000 0.01652 O7 0.51862 0.75000 0.17982 1.00000 0.01973 O8 0.53927 0.25000 0.31983 1.00000 0.02807 O9 0.61385 0.25000 0.09667 1.00000 0.02805 O10 0.09308 0.25000 0.44164 1.00000 0.01654 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 0.02236 0.01385 0.01801 0.00000 0.01216 0.00000 CaA1 0.02236 0.01385 0.01801 0.00000 0.01216 0.00000 CaA2 0.01606 0.02067 0.01387 0.00000 0.00314 0.00000 CeA2 0.01606 0.02067 0.01387 0.00000 0.00314 0.00000 FeM2 0.01057 0.01278 0.01469 0.00179 0.00395 -0.00105 AlM2 0.01057 0.01278 0.01469 0.00179 0.00395 -0.00105 AlM1 0.00987 0.00967 0.01381 -0.00066 0.00219 -0.00037 MnM1 0.00987 0.00967 0.01381 -0.00066 0.00219 -0.00037 MnM3 0.01003 0.01042 0.01424 0.00000 0.00037 0.00000 AlM3 0.01003 0.01042 0.01424 0.00000 0.00037 0.00000 Si1 0.00955 0.00885 0.01373 0.00000 0.00257 0.00000 Si2 0.01030 0.01221 0.01611 0.00000 0.00480 0.00000 Si3 0.00823 0.01016 0.01281 0.00000 0.00351 0.00000 O1 0.01709 0.01281 0.02997 0.00002 0.00933 0.00243 O2 0.01368 0.02035 0.01832 -0.00286 0.00810 -0.00023 O3 0.01659 0.01085 0.02579 -0.00056 0.00217 -0.00122 O4 0.01261 0.01082 0.01785 0.00000 0.00319 0.00000 O5 0.01324 0.01677 0.01639 0.00000 0.00247 0.00000 O6 0.01433 0.01329 0.02419 0.00000 0.01040 0.00000 O7 0.01525 0.01714 0.01678 0.00000 -0.00268 0.00000 O8 0.02053 0.03859 0.03382 0.00000 0.01996 0.00000 O9 0.03261 0.03486 0.01896 0.00000 0.01323 0.00000 O10 0.01386 0.01494 0.02306 0.00000 0.01005 0.00000