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, split Pb site
;
_database_code_amcsd 0001960
_chemical_formula_sum 'Pb.5 (Al Si) O4'
_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*   0.27170  -0.01410   0.07430   0.60000
Pb*   0.27600   0.01710   0.06560   0.40000
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' 0.01300 0.04600 0.02300 -0.01100 0.00500 0.00500
Pb" 0.01900 0.07200 0.04400 0.01400 0.01100 0.02000
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