data_global _chemical_name_mineral 'Feldspar' loop_ _publ_author_name 'Benna P' 'Tribaudino M' 'Bruno E' _journal_name_full 'American Mineralogist' _journal_volume 84 _journal_year 1999 _journal_page_first 120 _journal_page_last 129 _publ_section_title ; High-temperature in situ structural investigation on lead feldspar Sample at T = 465 C, single Pb atom model ; _database_code_amcsd 0002067 _chemical_formula_sum 'Pb (Si2.84 Al1.16) O8' _cell_length_a 8.440 _cell_length_b 13.051 _cell_length_c 14.325 _cell_angle_alpha 90 _cell_angle_beta 115.33 _cell_angle_gamma 90 _cell_volume 1426.203 _exptl_crystal_density_diffrn 4.157 _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 0.27450 -0.00500 0.07060 1.00000 Si1(O) 0.00610 0.17860 0.10950 0.71000 Al1(O) 0.00610 0.17860 0.10950 0.29000 Si1(z) 0.00390 0.18020 0.61600 0.71000 Al1(z) 0.00390 0.18020 0.61600 0.29000 Si2(O) 0.69800 0.11940 0.17270 0.71000 Al2(O) 0.69800 0.11940 0.17270 0.29000 Si2(z) 0.68900 0.11520 0.67260 0.71000 Al2(z) 0.68900 0.11520 0.67260 0.29000 OA(1) 0.00280 0.13470 0.00090 1.00000 OA(2) 0.60370 -0.00120 0.14680 1.00000 OB(O) 0.82870 0.13080 0.11000 1.00000 OB(z) 0.81280 0.13290 0.61340 1.00000 OC(O) 0.01380 0.30230 0.12070 1.00000 OC(z) 0.02650 0.30960 0.63560 1.00000 OD(O) 0.17890 0.12610 0.19690 1.00000 OD(z) 0.19830 0.12170 0.70150 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 0.02600 0.10400 0.05600 -0.00900 0.01100 -0.00700 Si1(O) 0.02400 0.02400 0.01900 -0.00400 0.01200 0.00000 Al1(O) 0.02400 0.02400 0.01900 -0.00400 0.01200 0.00000 Si1(z) 0.01100 0.01800 0.01400 -0.00600 0.00300 -0.00100 Al1(z) 0.01100 0.01800 0.01400 -0.00600 0.00300 -0.00100 Si2(O) 0.00600 0.01800 0.01700 0.00100 0.00100 0.00200 Al2(O) 0.00600 0.01800 0.01700 0.00100 0.00100 0.00200 Si2(z) 0.01900 0.01900 0.02400 -0.00500 0.01000 -0.00500 Al2(z) 0.01900 0.01900 0.02400 -0.00500 0.01000 -0.00500 OA(1) 0.03400 0.04100 0.01500 0.00100 0.01100 -0.00700 OA(2) 0.01800 0.01900 0.04600 0.01500 0.00800 0.00000 OB(O) 0.03600 0.04300 0.04100 -0.01200 0.02000 -0.00700 OB(z) 0.02200 0.05100 0.06200 -0.01000 0.02400 0.00800 OC(O) 0.02400 0.04000 0.02700 -0.00500 0.01000 -0.01000 OC(z) 0.03400 0.02000 0.05800 -0.01900 0.01200 -0.00600 OD(O) 0.04200 0.04800 0.03600 0.01500 0.01000 -0.00200 OD(z) 0.01300 0.04600 0.01600 -0.00200 -0.00300 0.00800