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_L64h, split Pb site
;
_database_code_amcsd 0001958
_chemical_formula_sum 'Pb.5 (Al Si) O4'
_cell_length_a 8.405
_cell_length_b 13.063
_cell_length_c 14.344
_cell_angle_alpha 90
_cell_angle_beta 115.29
_cell_angle_gamma 90
_cell_volume 1423.950
_exptl_crystal_density_diffrn      4.155
_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*   0.27420   0.00050   0.06950   0.60000
Pb*   0.27100  -0.01360   0.07370   0.40000
Al1o   0.00680   0.17690   0.10910   0.15000
Si1o   0.00680   0.17690   0.10910   0.85000
Al1z   0.00270   0.17990   0.61620   0.85000
Si1z   0.00270   0.17990   0.61620   0.15000
Al2o   0.69680   0.11950   0.17200   0.85000
Si2o   0.69680   0.11950   0.17200   0.15000
Al2z   0.68830   0.11480   0.67340   0.15000
Si2z   0.68830   0.11480   0.67340   0.85000
Oa1   0.00490   0.13350   0.00030   1.00000
Oa2   0.59880  -0.00100   0.14560   1.00000
Obo   0.82560   0.12950   0.10790   1.00000
Obz   0.81570   0.13000   0.61560   1.00000
Oco   0.01580   0.30040   0.12070   1.00000
Ocz   0.02050   0.31090   0.63200   1.00000
Odo   0.18560   0.12540   0.19640   1.00000
Odz   0.19580   0.12110   0.70100   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' 0.01800 0.11800 0.04900 0.01300 0.01200 0.00100
Pb" 0.01000 0.02500 0.01500 -0.01500 0.00200 -0.00300
Al1o 0.01300 0.00800 0.00700 -0.00400 0.00700 -0.00100
Si1o 0.01300 0.00800 0.00700 -0.00400 0.00700 -0.00100
Al1z 0.00800 0.00800 0.00700 -0.00300 0.00300 -0.00200
Si1z 0.00800 0.00800 0.00700 -0.00300 0.00300 -0.00200
Al2o 0.00600 0.00400 0.01100 0.00100 0.00200 -0.00100
Si2o 0.00600 0.00400 0.01100 0.00100 0.00200 -0.00100
Al2z 0.00600 0.00800 0.01000 0.00000 0.00500 0.00100
Si2z 0.00600 0.00800 0.01000 0.00000 0.00500 0.00100
Oa1 0.02200 0.01200 0.00800 -0.00100 0.01000 0.00000
Oa2 0.01300 0.00500 0.02100 0.00300 0.00400 0.00900
Obo 0.03000 0.01300 0.02400 -0.00800 0.02000 -0.00200
Obz 0.01100 0.02000 0.02800 -0.00400 0.00800 0.00400
Oco 0.01500 0.01900 0.02200 -0.00300 0.01000 0.00200
Ocz 0.01800 0.01700 0.01100 -0.00200 0.00400 -0.00500
Odo 0.02700 0.02300 0.01100 0.00200 0.00800 0.00700
Odz 0.00800 0.02100 0.01500 -0.00100 0.00000 -0.00300