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_L16h, split Pb site
;
_database_code_amcsd 0001956
_chemical_formula_sum 'Pb.5 (Al Si) O4'
_cell_length_a 8.399
_cell_length_b 13.061
_cell_length_c 14.334
_cell_angle_alpha 90
_cell_angle_beta 115.28
_cell_angle_gamma 90
_cell_volume 1421.841
_exptl_crystal_density_diffrn      4.161
_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*   0.27310  -0.01360   0.07300   0.60000
Pb*   0.27260   0.00580   0.06910   0.40000
Al1o   0.00720   0.17730   0.10970   0.14000
Si1o   0.00720   0.17730   0.10970   0.86000
Al1z   0.00250   0.17930   0.61530   0.86000
Si1z   0.00250   0.17930   0.61530   0.14000
Al2o   0.69580   0.11980   0.17140   0.86000
Si2o   0.69580   0.11980   0.17140   0.14000
Al2z   0.68750   0.11490   0.67380   0.14000
Si2z   0.68750   0.11490   0.67380   0.86000
OA(1)   0.00200   0.13450  -0.00100   1.00000
OA(2)   0.59840  -0.00040   0.14650   1.00000
OB(o)   0.82940   0.12940   0.10790   1.00000
OB(Z)   0.81480   0.13220   0.61630   1.00000
Oc(o)   0.01790   0.30080   0.12190   1.00000
Ocz   0.02000   0.31050   0.63250   1.00000
Odo   0.18370   0.12440   0.19630   1.00000
Odz   0.19860   0.12280   0.70210   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' 0.00900 0.03900 0.01900 -0.01200 0.00300 0.00000
Pb" 0.03700 0.10900 0.04800 0.03100 0.01400 -0.00200
Al1o 0.01100 0.01300 0.00800 -0.00200 0.00400 -0.00200
Si1o 0.01100 0.01300 0.00800 -0.00200 0.00400 -0.00200
Al1z 0.01300 0.01300 0.00400 -0.00300 0.00700 0.00000
Si1z 0.01300 0.01300 0.00400 -0.00300 0.00700 0.00000
Al2o 0.00700 0.00800 0.01000 0.00400 0.00400 0.00100
Si2o 0.00700 0.00800 0.01000 0.00400 0.00400 0.00100
Al2z 0.01200 0.01100 0.00900 -0.00300 0.00600 -0.00200
Si2z 0.01200 0.01100 0.00900 -0.00300 0.00600 -0.00200
OA(1) 0.02200 0.02100 0.01100 0.00400 0.00900 -0.00300
OA(2) 0.01400 0.01500 0.01800 -0.00300 0.00600 -0.00500
OB(o) 0.02100 0.02100 0.02600 -0.00300 0.01500 -0.00500
OB(Z) 0.02100 0.01500 0.02400 -0.00500 0.01100 0.00300
Oc(o) 0.02300 0.01100 0.02300 0.00000 0.00800 -0.00100
Ocz 0.01200 0.01400 0.02000 -0.00100 0.00700 -0.00600
Odo 0.02000 0.02000 0.01400 0.00400 0.00000 0.00500
Odz 0.01500 0.01900 0.01600 0.00100 0.00600 -0.00100