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_H136h, single Pb site ; _database_code_amcsd 0001959 _chemical_formula_sum 'Pb (Al2 Si2) O8' _cell_length_a 8.418 _cell_length_b 13.076 _cell_length_c 14.365 _cell_angle_alpha 90 _cell_angle_beta 115.28 _cell_angle_gamma 90 _cell_volume 1429.780 _exptl_crystal_density_diffrn 4.138 _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 0.27230 -0.00450 0.07150 1.00000 Al1o 0.00550 0.17750 0.11050 0.29000 Si1o 0.00550 0.17750 0.11050 0.71000 Al1z 0.00400 0.17940 0.61470 0.71000 Si1z 0.00400 0.17940 0.61470 0.29000 Al2o 0.69420 0.11860 0.17190 0.71000 Si2o 0.69420 0.11860 0.17190 0.29000 Al2z 0.68970 0.11530 0.67350 0.29000 Si2z 0.68970 0.11530 0.67350 0.71000 Oa1 0.00210 0.13420 -0.00100 1.00000 Oa2 0.59920 -0.00030 0.14620 1.00000 Obo 0.82190 0.13110 0.10840 1.00000 Obz 0.81690 0.13050 0.61460 1.00000 Oco 0.01600 0.30250 0.12330 1.00000 Ocz 0.02060 0.30920 0.63100 1.00000 Odo 0.18760 0.12420 0.19800 1.00000 Odz 0.19460 0.12220 0.70070 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 0.01500 0.09800 0.03200 -0.01600 0.00600 -0.00500 Al1o 0.00900 0.01600 0.00800 -0.00400 0.00200 0.00100 Si1o 0.00900 0.01600 0.00800 -0.00400 0.00200 0.00100 Al1z 0.01100 0.01200 0.01000 -0.00300 0.00600 -0.00100 Si1z 0.01100 0.01200 0.01000 -0.00300 0.00600 -0.00100 Al2o 0.00600 0.00700 0.01200 -0.00100 0.00400 -0.00100 Si2o 0.00600 0.00700 0.01200 -0.00100 0.00400 -0.00100 Al2z 0.00800 0.01200 0.00700 0.00000 0.00200 -0.00100 Si2z 0.00800 0.01200 0.00700 0.00000 0.00200 -0.00100 Oa1 0.01900 0.02000 0.01200 -0.00100 0.00800 -0.00300 Oa2 0.01000 0.01000 0.02500 -0.00100 0.00600 -0.00200 Obo 0.01700 0.02400 0.02700 0.00400 0.01000 0.00100 Obz 0.01900 0.02200 0.03000 -0.00400 0.01400 -0.00100 Oco 0.02300 0.02000 0.02100 -0.00600 0.00900 0.00300 Ocz 0.01400 0.01700 0.02700 -0.00600 0.00500 -0.00200 Odo 0.01800 0.02700 0.01500 0.00400 0.00200 0.00300 Odz 0.01600 0.02600 0.01600 -0.00200 0.00300 -0.00100