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: 9 Note: structure from ICSD ; _database_code_amcsd 0005291 _chemical_compound_source 'Monte Bassetta, Val Vigezzo, Italy' _chemical_formula_sum '(Y1.5 Dy.46 Ca.04) (Be1.82 B.18) Fe.78 Si2 O10' _cell_length_a 4.757 _cell_length_b 7.553 _cell_length_c 9.970 _cell_angle_alpha 90 _cell_angle_beta 90.50 _cell_angle_gamma 90 _cell_volume 358.205 _exptl_crystal_density_diffrn 4.522 _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 0.99938 0.10743 0.32947 0.75000 Dy 0.99938 0.10743 0.32947 0.23000 Ca 0.99938 0.10743 0.32947 0.02000 Be 0.45950 0.41380 0.33520 0.91000 B 0.45950 0.41380 0.33520 0.09000 Fe 0.00000 0.00000 0.00000 0.78000 Si 0.51900 0.27853 0.07821 1.00000 O1 0.76100 0.41350 0.03040 1.00000 O2 0.32440 0.28680 0.45120 1.00000 O3 0.30740 0.34750 0.19510 1.00000 O4 0.68640 0.10680 0.14270 1.00000 O5 0.79600 0.41270 0.33210 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 0.00796 0.00769 0.00762 -0.00081 -0.00036 -0.00019 Dy 0.00796 0.00769 0.00762 -0.00081 -0.00036 -0.00019 Ca 0.00796 0.00769 0.00762 -0.00081 -0.00036 -0.00019 Be 0.00600 0.00600 0.00400 0.00100 0.00070 0.00000 B 0.00600 0.00600 0.00400 0.00100 0.00070 0.00000 Fe 0.00790 0.01290 0.00770 0.00220 0.00040 0.00040 Si 0.00770 0.00640 0.00750 -0.00030 0.00070 -0.00030 O1 0.00970 0.00910 0.01170 0.00260 0.00010 -0.00280 O2 0.00880 0.00960 0.00870 0.00320 -0.00150 -0.00110 O3 0.00860 0.01230 0.00860 -0.00210 0.00120 0.00190 O4 0.01050 0.00680 0.01150 0.00100 -0.00170 0.00140 O5 0.00810 0.01340 0.01180 -0.00080 0.00140 -0.00080