data_global _chemical_name_mineral 'Samarskite-(Y)' loop_ _publ_author_name 'Britvin S N' 'Pekov I V' 'Krzhizhanovskaya M G' 'Agakhanov A A' 'Ternes B' 'Schuller W' 'Chukanov N V' _journal_name_full 'Physics and Chemistry of Minerals' _journal_volume 46 _journal_year 2019 _journal_page_first 727 _journal_page_last 741 _publ_section_title ; Redefinition and crystal chemistry of samarskite-(Y), YFe3+Nb2O8: cation-ordered niobate structurally related to layered double tungstates Sample LS-1100, after annealing at 1100 C ; _database_code_amcsd 0021079 _chemical_compound_source 'Laacher See, Eifel, Rhineland-Palatinate, Germany' _chemical_formula_sum 'Y.25 La.01 Ce.03 Nd.02 Sm.01 Gd.01 Dy.04 Ho.01 Er.02 Yb.03 Th.37 U.13 Ca.03 Fe.73 Mn.18 (Nb1.84 Ti.06 Zr.06 Ta.02 W.02) O8' _cell_length_a 9.8006 _cell_length_b 5.6254 _cell_length_c 5.2154 _cell_angle_alpha 90 _cell_angle_beta 93.481 _cell_angle_gamma 90 _cell_volume 287.006 _exptl_crystal_density_diffrn 6.176 _symmetry_space_group_name_H-M 'P 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '-x,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 YA 0.00000 0.26284 0.75000 0.25000 0.00450 LaA 0.00000 0.26284 0.75000 0.01000 0.00450 CeA 0.00000 0.26284 0.75000 0.03000 0.00450 NdA 0.00000 0.26284 0.75000 0.02000 0.00450 SmA 0.00000 0.26284 0.75000 0.01000 0.00450 GdA 0.00000 0.26284 0.75000 0.01000 0.00450 DyA 0.00000 0.26284 0.75000 0.04000 0.00450 HoA 0.00000 0.26284 0.75000 0.01000 0.00450 ErA 0.00000 0.26284 0.75000 0.02000 0.00450 YbA 0.00000 0.26284 0.75000 0.03000 0.00450 ThA 0.00000 0.26284 0.75000 0.37000 0.00450 U4+A 0.00000 0.26284 0.75000 0.13000 0.00450 CaA 0.00000 0.26284 0.75000 0.03000 0.00450 Fe3+M 0.50000 0.33682 0.75000 0.73000 0.00520 Mn2+M 0.50000 0.33682 0.75000 0.18000 0.00520 NbB 0.73420 0.18354 0.28542 0.92000 0.00390 TiB 0.73420 0.18354 0.28542 0.03000 0.00390 ZrB 0.73420 0.18354 0.28542 0.03000 0.00390 TaB 0.73420 0.18354 0.28542 0.01000 0.00390 WB 0.73420 0.18354 0.28542 0.01000 0.00390 O1 0.13770 0.06410 0.47600 1.00000 0.00820 O2 0.13120 0.40510 0.10010 1.00000 0.00930 O3 0.63940 0.12080 0.59910 1.00000 0.00910 O4 0.61260 0.37640 0.09900 1.00000 0.01040