data_global
_chemical_name_mineral 'Anorthoclase'
loop_
_publ_author_name
'Harlow G E'
_journal_name_full 'American Mineralogist'
_journal_volume 67 
_journal_year 1982
_journal_page_first 975
_journal_page_last 996
_publ_section_title
;
 The anorthoclase structures: The effects of temperature and composition
 Kakanui, Or = 13.8, T = 23 deg C
 feldspar
;
_database_code_amcsd 0000878
_chemical_compound_source 'Kakanui, New Zealand'
_chemical_formula_sum '(Al Si3) (Na.85 K.15) O8'
_cell_length_a 8.2168
_cell_length_b 12.9166
_cell_length_c 7.1270
_cell_angle_alpha 92.754
_cell_angle_beta 116.357
_cell_angle_gamma 90.239
_cell_volume 676.721
_exptl_crystal_density_diffrn      2.597
_symmetry_space_group_name_H-M 'C -1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al1   0.00870   0.16860   0.21680   0.25000
Si1   0.00870   0.16860   0.21680   0.75000
Al2   0.00540   0.81530   0.22750   0.25000
Si2   0.00540   0.81530   0.22750   0.75000
Al3   0.69230   0.10990   0.32560   0.25000
Si3   0.69230   0.10990   0.32560   0.75000
Al4   0.68860   0.87890   0.35140   0.25000
Si4   0.68860   0.87890   0.35140   0.75000
Na   0.27430   0.00510   0.13500   0.85000
K   0.27430   0.00510   0.13500   0.15000
O1   0.00450   0.13690   0.98810   1.00000
O2   0.59690   0.99250   0.28180   1.00000
O3   0.82200   0.11450   0.20510   1.00000
O4   0.82030   0.84990   0.24220   1.00000
O5   0.01880   0.29400   0.27240   1.00000
O6   0.02250   0.68820   0.22670   1.00000
O7   0.19320   0.11460   0.39110   1.00000
O8   0.18820   0.86850   0.42320   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
Al1 0.01290 0.01601 0.01504 -0.00240 0.00689 -0.00167
Si1 0.01290 0.01601 0.01504 -0.00240 0.00689 -0.00167
Al2 0.01207 0.01517 0.01401 0.00144 0.00642 -0.00083
Si2 0.01207 0.01517 0.01401 0.00144 0.00642 -0.00083
Al3 0.01207 0.01180 0.01689 -0.00096 0.00594 -0.00083
Si3 0.01207 0.01180 0.01689 -0.00096 0.00594 -0.00083
Al4 0.01235 0.01264 0.01710 0.00000 0.00666 -0.00083
Si4 0.01235 0.01264 0.01710 0.00000 0.00666 -0.00083
Na -0.00439 0.09690 0.04675 0.00240 -0.00499 -0.05999
K -0.00439 0.09690 0.04675 0.00240 -0.00499 -0.05999
O1 0.03101 0.02781 0.02410 0.00000 0.01498 -0.00125
O2 0.02058 0.01938 0.02430 -0.00144 0.00808 0.00167
O3 0.02470 0.03033 0.03378 -0.00481 0.01759 -0.00167
O4 0.02223 0.03792 0.03481 0.00289 0.01712 -0.00417
O5 0.02113 0.02022 0.03254 -0.00289 0.01189 -0.00375
O6 0.02113 0.02275 0.02204 0.00289 0.00499 0.00125
O7 0.02195 0.02443 0.02101 0.00192 0.00475 0.00167
O8 0.02085 0.02865 0.02245 -0.00192 0.00262 0.00625