data_global _chemical_name_mineral 'Gadolinite-(Y)' loop_ _publ_author_name 'Demartin F' 'Pilati T' 'Diella V' 'Gentile P' 'Gramaccioli C M' _journal_name_full 'The Canadian Mineralogist' _journal_volume 31 _journal_year 1993 _journal_page_first 127 _journal_page_last 136 _publ_section_title ; A crystal-chemical investigation of alpine gadolinite Sample: 7 Note: structure from ICSD ; _database_code_amcsd 0005289 _chemical_compound_source '"Strada", Val Vigezzo, Italy' _chemical_formula_sum '(Y1.58 Dy.36 Ca.06) (Be1.82 B.18) Fe.76 Si2 O10' _cell_length_a 4.759 _cell_length_b 7.564 _cell_length_c 9.968 _cell_angle_alpha 90 _cell_angle_beta 90.43 _cell_angle_gamma 90 _cell_volume 358.809 _exptl_crystal_density_diffrn 4.427 _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 Y 0.99974 0.10810 0.32924 0.79000 Dy 0.99974 0.10810 0.32924 0.18000 Ca 0.99974 0.10810 0.32924 0.03000 Be 0.45950 0.41420 0.33560 0.91000 B 0.45950 0.41420 0.33560 0.09000 Fe 0.00000 0.00000 0.00000 0.76000 Si 0.51890 0.27818 0.07832 1.00000 O1 0.76080 0.41300 0.03080 1.00000 O2 0.32490 0.28630 0.45140 1.00000 O3 0.30810 0.34750 0.19540 1.00000 O4 0.68510 0.10710 0.14270 1.00000 O5 0.79670 0.41240 0.33250 1.00000 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 Y 0.00629 0.00670 0.00682 -0.00088 -0.00036 -0.00030 Dy 0.00629 0.00670 0.00682 -0.00088 -0.00036 -0.00030 Ca 0.00629 0.00670 0.00682 -0.00088 -0.00036 -0.00030 Be 0.00500 0.00400 0.00600 0.00000 0.00140 0.00020 B 0.00500 0.00400 0.00600 0.00000 0.00140 0.00020 Fe 0.00670 0.01040 0.00680 0.00180 0.00070 0.00050 Si 0.00570 0.00510 0.00620 -0.00020 0.00070 0.00010 O1 0.00850 0.00850 0.00990 0.00160 0.00130 -0.00200 O2 0.00790 0.00830 0.00720 0.00190 -0.00110 -0.00040 O3 0.00650 0.01160 0.00690 -0.00220 0.00130 0.00250 O4 0.00930 0.00530 0.01110 0.00100 -0.00120 0.00150 O5 0.00590 0.01220 0.01110 -0.00060 0.00120 0.00010