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