data_global _chemical_name_mineral 'Allanite-(Ce)' loop_ _publ_author_name 'Dollase W A' _journal_name_full 'American Mineralogist' _journal_volume 56 _journal_year 1971 _journal_page_first 447 _journal_page_last 464 _publ_section_title ; Refinement of the crystal structures of epidote, allanite and hancockite ; _database_code_amcsd 227 _chemical_formula_sum 'Ca1.26 Ce.74 Si3 Al1.83 Fe1.17 O13 H' _cell_length_a 8.927 _cell_length_b 5.761 _cell_length_c 10.15 _cell_angle_alpha 90.0 _cell_angle_beta 114.77 _cell_angle_gamma 90.0 _cell_volume 473.973 _exptl_crystal_density_diffrn 3.939 _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 Ca1 0.7585 0.75 0.1517 1.0 0.01267 Ce2 0.5936 0.75 0.4286 0.74 0.00887 Ca2 0.5936 0.75 0.4286 0.26 0.00887 Si1 0.3389 0.75 0.0369 1.0 0.00887 Si2 0.6866 0.25 0.2799 1.0 0.00887 Si3 0.188 0.75 0.324 1.0 0.0076 Al1 0.0 0.0 0.0 0.66 0.0076 Fe1 0.0 0.0 0.0 0.34 0.0076 Al2 0.0 0.0 0.5 1.0 0.0076 Fe3 0.303 0.25 0.2148 0.83 0.0114 Al3 0.303 0.25 0.2148 0.17 0.0114 O1 0.2339 0.9892 0.0263 1.0 0.01646 O2 0.3109 0.9679 0.363 1.0 0.01393 O3 0.7962 0.0144 0.3376 1.0 0.01267 O4 0.0561 0.25 0.1306 1.0 0.0152 O5 0.0494 0.75 0.1529 1.0 0.0152 O6 0.0674 0.75 0.4119 1.0 0.0114 O7 0.507 0.75 0.1779 1.0 0.01267 O8 0.5396 0.25 0.3314 1.0 0.019 O9 0.6134 0.25 0.1037 1.0 0.02153 O-H10 0.0858 0.25 0.428 1.0 0.0152 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 Ca1 0.01964 0.01261 0.01721 0.0 0.01173 0.0 Ce2 0.00699 0.01261 0.00473 0.0 0.00114 0.0 Ca2 0.00699 0.01261 0.00473 0.0 0.00114 0.0 Fe3 0.00732 0.0116 0.01377 0.0 0.00265 0.0 Al3 0.00732 0.0116 0.01377 0.0 0.00265 0.0