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 167
_chemical_compound_source 'St. Gotthard, Switzerland, known as Spencer C'
_chemical_formula_sum 'K (Si3 Al) O8'
_cell_length_a 8.561
_cell_length_b 12.996
_cell_length_c 7.192
_cell_angle_alpha 90.0
_cell_angle_beta 116.01
_cell_angle_gamma 90.0
_cell_volume 719.129
_exptl_crystal_density_diffrn  2.571
_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   0.2838  0.0  0.1373  1.0  0.02824
Si1   0.0095  0.1844  0.2239  0.65  0.01153
Al1   0.0095  0.1844  0.2239  0.35  0.01153
Si2   0.7089  0.1178  0.3443  0.85  0.01013
Al2   0.7089  0.1178  0.3443  0.15  0.01013
OA1   0.0  0.1459  0.0  1.0  0.0228
OA2   0.6346  0.0  0.2851  1.0  0.0228
OB   0.828  0.147  0.2282  1.0  0.02786
OC   0.0349  0.3106  0.2607  1.0  0.02153
OD   0.1815  0.1258  0.4065  1.0  0.02026