data_global
_chemical_name_mineral 'Feldspar'
loop_
_publ_author_name
'Benna P'
'Tribaudino M'
'Bruno E'
_journal_name_full 'American Mineralogist'
_journal_volume 81 
_journal_year 1996
_journal_page_first 1337
_journal_page_last 1343
_publ_section_title
;
 The structure of ordered and disordered lead feldspar (PbAl2Si2O8)
 Sample: ordered
;
_database_code_amcsd 0001840
_chemical_formula_sum 'Pb.5 Si2 Al2 O8'
_cell_length_a 8.388
_cell_length_b 13.067
_cell_length_c 14.327
_cell_angle_alpha 90
_cell_angle_beta 115.19
_cell_angle_gamma 90
_cell_volume 1420.989
_exptl_crystal_density_diffrn      3.195
_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   0.27150  -0.00980   0.07310   0.50000
Si1(0)   0.00770   0.17550   0.10910   1.00000
Al1(z)   0.00210   0.17970   0.61630   1.00000
Al2(0)   0.69450   0.12020   0.17120   1.00000
Si2(z)   0.68670   0.11370   0.67480   1.00000
OA(l)   0.00620   0.13360   0.00060   1.00000
OA(2)   0.59560  -0.00080   0.14710   1.00000
OB(O)   0.82800   0.12950   0.10550   1.00000
OB(z)   0.81540   0.13000   0.61910   1.00000
OC(O)   0.01780   0.29790   0.12170   1.00000
OC(Z)   0.01820   0.31090   0.63280   1.00000
OD(O)   0.18330   0.12300   0.19570   1.00000
OD(z)   0.20060   0.12020   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 0.00900 0.03000 0.02100 -0.00200 0.00500 -0.00100
Si1(0) 0.00700 0.00800 0.00600 -0.00200 0.00300 -0.00100
Al1(z) 0.00600 0.00700 0.00700 -0.00200 0.00400 0.00000
Al2(0) 0.00400 0.00700 0.00800 0.00100 0.00300 0.00100
Si2(z) 0.00500 0.00600 0.00900 -0.00100 0.00300 -0.00100
OA(l) 0.01600 0.01500 0.00700 -0.00200 0.00500 0.00000
OA(2) 0.00700 0.00400 0.01700 0.00200 0.00400 0.00200
OB(O) 0.01100 0.01400 0.02300 -0.00400 0.01200 -0.00100
OB(z) 0.00900 0.01900 0.02200 -0.00200 0.01300 0.00100
OC(O) 0.01300 0.01000 0.01800 -0.00500 0.00800 -0.00200
OC(Z) 0.01100 0.00700 0.01800 -0.00300 0.00500 -0.00300
OD(O) 0.01500 0.02100 0.01000 0.00000 0.00000 0.00200
OD(z) 0.00900 0.01400 0.01200 0.00100 0.00100 0.00100