data_global _chemical_name_mineral 'Gadolinite-(Y)' loop_ _publ_author_name 'Camara F' 'Oberti R' 'Ottolini L' 'Ventura G D' 'Bellatreccia F' _journal_name_full 'American Mineralogist' _journal_volume 93 _journal_year 2008 _journal_page_first 996 _journal_page_last 1004 _publ_section_title ; The crystal chemistry of Li in gadolinite ; _database_code_amcsd 0004599 _chemical_compound_source 'Vico lake, Latium, Italy' _chemical_formula_sum '(Ca.8 Y.38 La.06 Ce.24 Pr.04 Nd.16 Sm.04 Eu2 Gd.04 Dy.04 Er.02 Yb.02 Th.14 U.02) Fe.71 Li.35 Mn.03 Mg.02 Si2 Be1.08 B.8 O10' _cell_length_a 4.7708 _cell_length_b 7.6229 _cell_length_c 9.8975 _cell_angle_alpha 90 _cell_angle_beta 90.017 _cell_angle_gamma 90 _cell_volume 359.946 _exptl_crystal_density_diffrn 7.216 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+y,1/2-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 CaA 0.99580 0.10680 0.33090 0.40000 0.00900 YA 0.99580 0.10680 0.33090 0.19000 0.00900 LaA 0.99580 0.10680 0.33090 0.03000 0.00900 CeA 0.99580 0.10680 0.33090 0.12000 0.00900 PrA 0.99580 0.10680 0.33090 0.02000 0.00900 NdA 0.99580 0.10680 0.33090 0.08000 0.00900 SmA 0.99580 0.10680 0.33090 0.02000 0.00900 EuA 0.99580 0.10680 0.33090 1.00000 0.00900 GdA 0.99580 0.10680 0.33090 0.02000 0.00900 DyA 0.99580 0.10680 0.33090 0.02000 0.00900 ErA 0.99580 0.10680 0.33090 0.01000 0.00900 YbA 0.99580 0.10680 0.33090 0.01000 0.00900 ThA 0.99580 0.10680 0.33090 0.07000 0.00900 UA 0.99580 0.10680 0.33090 0.01000 0.00900 Fe2+X 0.00000 0.00000 0.00000 0.50000 0.00700 LiX 0.00000 0.00000 0.00000 0.23000 0.00700 Fe3+X 0.00000 0.00000 0.00000 0.21000 0.00700 MnX 0.00000 0.00000 0.00000 0.03000 0.00700 MgX 0.00000 0.00000 0.00000 0.02000 0.00700 SiZ 0.54620 0.41060 0.33840 0.50000 0.00600 BeZ 0.54620 0.41060 0.33840 0.27000 0.00600 BZ 0.54620 0.41060 0.33840 0.20000 0.00600 LiZ 0.54620 0.41060 0.33840 0.03000 0.00600 SiT 0.47650 0.27040 0.08130 0.50000 0.00600 BeT 0.47650 0.27040 0.08130 0.27000 0.00600 BT 0.47650 0.27040 0.08130 0.20000 0.00600 LiT 0.47650 0.27040 0.08130 0.03000 0.00600 O1 0.24080 0.40520 0.03430 1.00000 0.01000 O2 0.67230 0.29240 0.45420 1.00000 0.01100 O3 0.68340 0.34010 0.20240 1.00000 0.01200 O4 0.31730 0.09680 0.14320 1.00000 0.01100 O5 0.22700 0.41050 0.33500 1.00000 0.01100 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 CaA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 YA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 LaA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 CeA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 PrA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 NdA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 SmA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 EuA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 GdA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 DyA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 ErA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 YbA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 ThA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 UA 0.00800 0.00900 0.00800 0.00100 -0.00100 0.00000 Fe2+X 0.00600 0.00800 0.00700 0.00100 -0.00100 0.00100 LiX 0.00600 0.00800 0.00700 0.00100 -0.00100 0.00100 Fe3+X 0.00600 0.00800 0.00700 0.00100 -0.00100 0.00100 MnX 0.00600 0.00800 0.00700 0.00100 -0.00100 0.00100 MgX 0.00600 0.00800 0.00700 0.00100 -0.00100 0.00100 SiZ 0.00500 0.00600 0.00600 -0.00100 -0.00100 0.00000 BeZ 0.00500 0.00600 0.00600 -0.00100 -0.00100 0.00000 BZ 0.00500 0.00600 0.00600 -0.00100 -0.00100 0.00000 LiZ 0.00500 0.00600 0.00600 -0.00100 -0.00100 0.00000 SiT 0.00700 0.00600 0.00600 -0.00100 0.00000 0.00000 BeT 0.00700 0.00600 0.00600 -0.00100 0.00000 0.00000 BT 0.00700 0.00600 0.00600 -0.00100 0.00000 0.00000 LiT 0.00700 0.00600 0.00600 -0.00100 0.00000 0.00000 O1 0.00800 0.01300 0.01000 0.00100 0.00000 0.00100 O2 0.01300 0.00900 0.01200 0.00000 0.00500 0.00100 O3 0.01300 0.01300 0.01000 -0.00300 -0.00200 0.00000 O4 0.01500 0.00900 0.00800 -0.00500 0.00300 0.00100 O5 0.01000 0.01300 0.01000 0.00100 0.00000 0.00000