data_global
_chemical_name_mineral 'Orthoclase'
loop_
_publ_author_name
'Colville A A'
'Ribbe P H'
_journal_name_full 'American Mineralogist'
_journal_volume 53 
_journal_year 1968
_journal_page_first 25
_journal_page_last 37
_publ_section_title
;
 The crystal structure of an adularia and a refinement of the structure of orthoclase
;
_database_code_amcsd 0000166
_chemical_compound_source 'St. Gotthard, Switzerland, known as Spencer B, variety adularia'
_chemical_formula_sum 'K (Si3 Al) O8'
_cell_length_a 8.554
_cell_length_b 12.970
_cell_length_c 7.207
_cell_angle_alpha 90
_cell_angle_beta 116.01
_cell_angle_gamma 90
_cell_volume 718.600
_exptl_crystal_density_diffrn      2.573
_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
_atom_site_U_iso_or_equiv
K   0.28350   0.00000   0.13690   1.00000   0.02862
Si1   0.00940   0.18430   0.22470   0.61000   0.01051
Al1   0.00940   0.18430   0.22470   0.39000   0.01051
Si2   0.70790   0.11760   0.34430   0.89000   0.00823
Al2   0.70790   0.11760   0.34430   0.11000   0.00823
OA1   0.00000   0.14480   0.00000   1.00000   0.02153
OA2   0.63540   0.00000   0.28400   1.00000   0.01646
OB   0.82760   0.14480   0.22770   1.00000   0.02786
OC   0.03510   0.31160   0.25900   1.00000   0.02026
OD   0.18180   0.12540   0.40750   1.00000   0.01520