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 = 230 C, split Pb atom model ; _database_code_amcsd 0002070 _chemical_formula_sum 'Pb.5 (Si1.42 Al.58) O4' _cell_length_a 8.422 _cell_length_b 13.045 _cell_length_c 14.310 _cell_angle_alpha 90 _cell_angle_beta 115.34 _cell_angle_gamma 90 _cell_volume 1420.900 _exptl_crystal_density_diffrn 4.172 _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* 0.27050 -0.01360 0.07260 0.59000 Pb* 0.27870 0.00890 0.06860 0.41000 Si1(O) 0.00590 0.17770 0.11000 0.71000 Al1(O) 0.00590 0.17770 0.11000 0.29000 Si1(z) 0.00390 0.17980 0.61580 0.71000 Al1(z) 0.00390 0.17980 0.61580 0.29000 Si2(O) 0.69590 0.11940 0.17140 0.71000 Al2(O) 0.69590 0.11940 0.17140 0.29000 Si2(z) 0.69010 0.11480 0.67320 0.71000 Al2(z) 0.69010 0.11480 0.67320 0.29000 OA(1) 0.00410 0.13420 0.00110 1.00000 OA(2) 0.60230 -0.00160 0.14620 1.00000 OB(O) 0.82360 0.13100 0.10780 1.00000 OB(z) 0.81530 0.13200 0.61590 1.00000 OC(O) 0.02000 0.30110 0.12170 1.00000 OC(z) 0.01760 0.31010 0.63320 1.00000 OD(O) 0.18150 0.12520 0.19760 1.00000 OD(z) 0.19820 0.12080 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' 0.02100 0.05400 0.03400 -0.01300 0.00700 -0.00100 Pb" 0.01900 0.08100 0.06100 0.00600 0.01200 0.00500 Si1(O) 0.01600 0.01900 0.01200 -0.00400 0.00500 0.00100 Al1(O) 0.01600 0.01900 0.01200 -0.00400 0.00500 0.00100 Si1(z) 0.01100 0.01700 0.01300 -0.00300 0.00500 0.00100 Al1(z) 0.01100 0.01700 0.01300 -0.00300 0.00500 0.00100 Si2(O) 0.01300 0.01300 0.01500 0.00200 0.00200 0.00200 Al2(O) 0.01300 0.01300 0.01500 0.00200 0.00200 0.00200 Si2(z) 0.00800 0.01800 0.01500 -0.00300 0.00300 -0.00300 Al2(z) 0.00800 0.01800 0.01500 -0.00300 0.00300 -0.00300 OA(1) 0.02900 0.03100 0.01400 -0.00100 0.00900 -0.00100 OA(2) 0.01100 0.01600 0.03800 0.00000 0.00400 -0.00100 OB(O) 0.01700 0.03700 0.02900 -0.00800 0.00800 0.00100 OB(z) 0.03100 0.03900 0.05200 -0.00700 0.02800 0.00100 OC(O) 0.02000 0.03200 0.02600 -0.00800 0.01200 -0.00200 OC(z) 0.02600 0.02700 0.03600 -0.01000 0.01100 -0.00600 OD(O) 0.02800 0.03700 0.02200 0.00400 0.00500 -0.00100 OD(z) 0.01200 0.03500 0.01600 -0.00100 -0.00200 0.00500