data_global
_chemical_name_mineral 'Feldspar'
loop_
_publ_author_name
'Benna P'
'Tribaudino M'
'Bruno E'
_journal_name_full 'American Mineralogist'
_journal_volume 84 
_journal_year 1999
_journal_page_first 120
_journal_page_last 129
_publ_section_title
;
 High-temperature in situ structural investigation on lead feldspar
 Sample at T = 465 C, single Pb atom model
;
_database_code_amcsd 0002067
_chemical_formula_sum 'Pb (Si2.84 Al1.16) O8'
_cell_length_a 8.440
_cell_length_b 13.051
_cell_length_c 14.325
_cell_angle_alpha 90
_cell_angle_beta 115.33
_cell_angle_gamma 90
_cell_volume 1426.203
_exptl_crystal_density_diffrn      4.157
_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   0.27450  -0.00500   0.07060   1.00000
Si1(O)   0.00610   0.17860   0.10950   0.71000
Al1(O)   0.00610   0.17860   0.10950   0.29000
Si1(z)   0.00390   0.18020   0.61600   0.71000
Al1(z)   0.00390   0.18020   0.61600   0.29000
Si2(O)   0.69800   0.11940   0.17270   0.71000
Al2(O)   0.69800   0.11940   0.17270   0.29000
Si2(z)   0.68900   0.11520   0.67260   0.71000
Al2(z)   0.68900   0.11520   0.67260   0.29000
OA(1)   0.00280   0.13470   0.00090   1.00000
OA(2)   0.60370  -0.00120   0.14680   1.00000
OB(O)   0.82870   0.13080   0.11000   1.00000
OB(z)   0.81280   0.13290   0.61340   1.00000
OC(O)   0.01380   0.30230   0.12070   1.00000
OC(z)   0.02650   0.30960   0.63560   1.00000
OD(O)   0.17890   0.12610   0.19690   1.00000
OD(z)   0.19830   0.12170   0.70150   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 0.02600 0.10400 0.05600 -0.00900 0.01100 -0.00700
Si1(O) 0.02400 0.02400 0.01900 -0.00400 0.01200 0.00000
Al1(O) 0.02400 0.02400 0.01900 -0.00400 0.01200 0.00000
Si1(z) 0.01100 0.01800 0.01400 -0.00600 0.00300 -0.00100
Al1(z) 0.01100 0.01800 0.01400 -0.00600 0.00300 -0.00100
Si2(O) 0.00600 0.01800 0.01700 0.00100 0.00100 0.00200
Al2(O) 0.00600 0.01800 0.01700 0.00100 0.00100 0.00200
Si2(z) 0.01900 0.01900 0.02400 -0.00500 0.01000 -0.00500
Al2(z) 0.01900 0.01900 0.02400 -0.00500 0.01000 -0.00500
OA(1) 0.03400 0.04100 0.01500 0.00100 0.01100 -0.00700
OA(2) 0.01800 0.01900 0.04600 0.01500 0.00800 0.00000
OB(O) 0.03600 0.04300 0.04100 -0.01200 0.02000 -0.00700
OB(z) 0.02200 0.05100 0.06200 -0.01000 0.02400 0.00800
OC(O) 0.02400 0.04000 0.02700 -0.00500 0.01000 -0.01000
OC(z) 0.03400 0.02000 0.05800 -0.01900 0.01200 -0.00600
OD(O) 0.04200 0.04800 0.03600 0.01500 0.01000 -0.00200
OD(z) 0.01300 0.04600 0.01600 -0.00200 -0.00300 0.00800