data_global _chemical_name_mineral 'Feldspar' loop_ _publ_author_name 'Tribaudino M' 'Benna P' 'Bruno E' _journal_name_full 'American Mineralogist' _journal_volume 83 _journal_year 1998 _journal_page_first 159 _journal_page_last 166 _publ_section_title ; Structural variations induced by thermal treatment in lead feldspar (PbAl2Si2O8) Sample: PbF_L1h, single Pb site ; _database_code_amcsd 0001953 _chemical_formula_sum 'Pb (Al2 Si2) O8' _cell_length_a 8.395 _cell_length_b 13.081 _cell_length_c 14.343 _cell_angle_alpha 90 _cell_angle_beta 115.27 _cell_angle_gamma 90 _cell_volume 1424.352 _exptl_crystal_density_diffrn 4.153 _symmetry_space_group_name_H-M 'I 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,1/2+z' 'x,-y,1/2+z' '1/2+x,1/2-y,+z' '-x,y,1/2-z' '1/2-x,1/2+y,-z' '-x,-y,-z' '1/2-x,1/2-y,1/2-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pb 0.27160 -0.00960 0.07280 1.00000 Al1o 0.00780 0.17600 0.10910 0.07500 Si1o 0.00780 0.17600 0.10910 0.92500 Al1z 0.00220 0.17970 0.61640 0.92500 Si1z 0.00220 0.17970 0.61640 0.07500 Al2o 0.69480 0.12010 0.17110 0.92500 Si2o 0.69480 0.12010 0.17110 0.07500 Al2z 0.68730 0.11400 0.67490 0.07500 Si2z 0.68730 0.11400 0.67490 0.92500 OA(1) 0.00520 0.13420 0.00090 1.00000 OA(2) 0.59440 -0.00050 0.14590 1.00000 OB(o) 0.82560 0.12890 0.10600 1.00000 OB(Z) 0.81370 0.13010 0.61830 1.00000 OC(O) 0.01890 0.29870 0.12190 1.00000 OC(Z) 0.01900 0.31080 0.63230 1.00000 OD(o) 0.18450 0.12330 0.19570 1.00000 OD(Z) 0.20210 0.12100 0.70110 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 Pb 0.01700 0.04400 0.02200 -0.00300 0.00800 -0.00200 Al1o 0.01400 0.01400 0.00600 -0.00300 0.00600 -0.00100 Si1o 0.01400 0.01400 0.00600 -0.00300 0.00600 -0.00100 Al1z 0.01300 0.01300 0.00900 -0.00300 0.00800 -0.00100 Si1z 0.01300 0.01300 0.00900 -0.00300 0.00800 -0.00100 Al2o 0.01300 0.01000 0.00800 0.00000 0.00700 0.00000 Si2o 0.01300 0.01000 0.00800 0.00000 0.00700 0.00000 Al2z 0.01200 0.01100 0.00900 0.00100 0.00700 0.00100 Si2z 0.01200 0.01100 0.00900 0.00100 0.00700 0.00100 OA(1) 0.02700 0.02100 0.00900 -0.00200 0.01200 -0.00200 OA(2) 0.01500 0.01100 0.02200 -0.00200 0.00900 0.00000 OB(o) 0.01400 0.01900 0.02300 0.00400 0.01200 -0.00100 OB(Z) 0.01400 0.02200 0.03100 -0.00100 0.01700 0.00300 OC(O) 0.02100 0.01700 0.01900 -0.00200 0.01000 -0.00200 OC(Z) 0.01800 0.01800 0.02000 -0.00300 0.01000 0.00400 OD(o) 0.02100 0.02800 0.01100 0.00300 0.00800 0.00500 OD(Z) 0.01800 0.01800 0.01500 0.00400 0.00400 0.00400