data_global _chemical_name_mineral 'Shakhdaraite-(Y)' loop_ _publ_author_name 'Pautov L A' 'Mirakov M A' 'Sokolova E' 'Day M C' 'Hawthorne F C' 'Schodibekov M A' 'Karpenko V Y' 'Makhmadsharif S' 'Faiziev A R' _journal_name_full 'The Canadian Mineralogist' _journal_volume 60 _journal_year 2022 _journal_page_first 369 _journal_page_last 382 _publ_section_title ; Shakhdaraite-(Y), ScYNb2O8, from the Leskhozovskaya granitic pegmatite, The Valley of the Shakhdara River, Southwestern Pamir, Gorno-Badakhshanskii Autonomous Region, Tajikistan: New mineral description and crystal structure ; _database_code_amcsd 0021089 _chemical_compound_source 'Leskhozovskaya granitic pegmatite, The Valley of the Shakhdara River, Tajikistan' _chemical_formula_sum 'Nb1.91 Ta.1 Ti.01 Sn.05 Sc.83 Mn.1 U.06 W.02 Pb.01 Y.53 Yb.07 Dy.06 Er.03 Gd.02 Ce.01 Nd.01 Sm.01 Tb.01 Ho.01 Tm.01 Lu.01 Ca.09 Th.04 O8' _cell_length_a 9.930 _cell_length_b 5.6625 _cell_length_c 5.2108 _cell_angle_alpha 90 _cell_angle_beta 92.38 _cell_angle_gamma 90 _cell_volume 292.743 _exptl_crystal_density_diffrn 5.603 _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 NbM(1A) 0.75537 0.31470 0.22620 0.88000 0.01360 TaM(1A) 0.75537 0.31470 0.22620 0.01500 0.01360 TiM(1A) 0.75537 0.31470 0.22620 0.00500 0.01360 NbM(1B) 0.74600 0.29100 0.27800 0.07500 0.02600 SnM(1B) 0.74600 0.29100 0.27800 0.02500 0.02600 ScM(2) 0.00000 0.81831 0.25000 0.83000 0.01780 TaM(2) 0.00000 0.81831 0.25000 0.07000 0.01780 MnM(2) 0.00000 0.81831 0.25000 0.04000 0.01780 U4+M(2) 0.00000 0.81831 0.25000 0.03000 0.01780 W6+M(2) 0.00000 0.81831 0.25000 0.02000 0.01780 PbM(2) 0.00000 0.81831 0.25000 0.01000 0.01780 YM(3A) 0.50000 0.77060 0.25000 0.53000 0.01260 YbM(3A) 0.50000 0.77060 0.25000 0.07000 0.01260 DyM(3A) 0.50000 0.77060 0.25000 0.06000 0.01260 ErM(3A) 0.50000 0.77060 0.25000 0.03000 0.01260 GdM(3A) 0.50000 0.77060 0.25000 0.02000 0.01260 CeM(3A) 0.50000 0.77060 0.25000 0.01000 0.01260 NdM(3A) 0.50000 0.77060 0.25000 0.01000 0.01260 SmM(3A) 0.50000 0.77060 0.25000 0.01000 0.01260 TbM(3A) 0.50000 0.77060 0.25000 0.01000 0.01260 HoM(3A) 0.50000 0.77060 0.25000 0.01000 0.01260 TmM(3A) 0.50000 0.77060 0.25000 0.01000 0.01260 LuM(3A) 0.50000 0.77060 0.25000 0.01000 0.01260 CaM(3B) 0.50000 0.82000 0.25000 0.09000 0.02600 MnM(3B) 0.50000 0.82000 0.25000 0.06000 0.02600 ThM(3B) 0.50000 0.82000 0.25000 0.04000 0.02600 U4+M(3B) 0.50000 0.82000 0.25000 0.03000 0.02600 O1 0.62470 0.09800 0.09130 1.00000 0.02740 O2 0.63810 0.57940 0.01230 1.00000 0.03940 O3 0.86210 0.38850 -0.08240 1.00000 0.02440 O4 0.88550 0.11450 0.40820 1.00000 0.02400 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 NbM(1A) 0.01470 0.01390 0.01180 -0.00010 -0.00310 0.00170 TaM(1A) 0.01470 0.01390 0.01180 -0.00010 -0.00310 0.00170 TiM(1A) 0.01470 0.01390 0.01180 -0.00010 -0.00310 0.00170 NbM(1B) 0.03000 0.03500 0.01300 -0.00100 -0.00200 0.01100 SnM(1B) 0.03000 0.03500 0.01300 -0.00100 -0.00200 0.01100 ScM(2) 0.01680 0.02020 0.01640 0.00000 -0.00010 0.00000 TaM(2) 0.01680 0.02020 0.01640 0.00000 -0.00010 0.00000 MnM(2) 0.01680 0.02020 0.01640 0.00000 -0.00010 0.00000 U4+M(2) 0.01680 0.02020 0.01640 0.00000 -0.00010 0.00000 W6+M(2) 0.01680 0.02020 0.01640 0.00000 -0.00010 0.00000 PbM(2) 0.01680 0.02020 0.01640 0.00000 -0.00010 0.00000 YM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 YbM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 DyM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 ErM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 GdM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 CeM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 NdM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 SmM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 TbM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 HoM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 TmM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 LuM(3A) 0.01280 0.01510 0.00970 0.00000 0.00070 0.00000 CaM(3B) 0.02500 0.02600 0.02900 0.00000 0.00450 0.00000 MnM(3B) 0.02500 0.02600 0.02900 0.00000 0.00450 0.00000 ThM(3B) 0.02500 0.02600 0.02900 0.00000 0.00450 0.00000 U4+M(3B) 0.02500 0.02600 0.02900 0.00000 0.00450 0.00000 O1 0.03260 0.02280 0.02690 -0.00150 0.00250 -0.00060 O2 0.02690 0.03600 0.05500 0.00230 -0.00250 0.02100 O3 0.02800 0.02010 0.02480 0.00240 -0.00160 0.00250 O4 0.02420 0.02150 0.02620 -0.00060 -0.00020 -0.00390