data_global
_chemical_name_mineral 'Orthoclase'
loop_
_publ_author_name
'Prince E'
'Donnay G'
'Martin R F'
_journal_name_full 'American Mineralogist'
_journal_volume 58
_journal_year 1973
_journal_page_first 500
_journal_page_last 507
_publ_section_title
;
 Neutron diffraction refinement of an ordered orthoclase structure
;
_database_code_amcsd 320
_chemical_compound_source 'Himalaya mine, California, USA'
_chemical_formula_sum 'Si3 Al K.86 Na.1 O8'
_cell_length_a 8.5632
_cell_length_b 12.963
_cell_length_c 7.2099
_cell_angle_alpha 90.0
_cell_angle_beta 116.073
_cell_angle_gamma 90.0
_cell_volume 718.887
_exptl_crystal_density_diffrn  2.542
_symmetry_space_group_name_H-M 'C 1 2/m 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'
  '-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
Si1   0.0095  0.1842  0.2247  0.5
Al1   0.0095  0.1842  0.2247  0.5
Si2   0.7085  0.1176  0.3446  1.0
K   0.284  0.0  0.1388  0.86
Na   0.284  0.0  0.1388  0.1
OA(1)   0.0  0.1451  0.0  1.0
OA(2)   0.6365  0.0  0.2853  1.0
OB   0.8256  0.1459  0.2279  1.0
OC   0.0353  0.3118  0.2599  1.0
OD   0.1818  0.1252  0.408  1.0
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
Si1   0.01748  0.01254  0.0119  -0.00291  0.00747  -0.0019
Al1   0.01748  0.01254  0.0119  -0.00291  0.00747  -0.0019
Si2   0.01748  0.01203  0.01393  0.00025  0.00697  0.00038
K   0.019  0.0304  0.02533  0.0  0.00659  0.0
Na   0.019  0.0304  0.02533  0.0  0.00659  0.0
OA(1)   0.02698  0.0195  0.02381  0.0  0.01203  0.0
OA(2)   0.02457  0.01228  0.01938  0.0  0.00418  0.0
OB   0.02761  0.03103  0.02824  -0.00304  0.01862  0.00203
OC   0.02102  0.01773  0.02216  -0.0038  0.00811  -0.00456
OD   0.02419  0.02026  0.01266  0.00177  0.00291  0.00165