data_9000162
_chemical_name '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
 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
_cell_angle_beta 116.01
_cell_angle_gamma 90
_cell_volume 719.129
_symmetry_space_group_name_H-M 'C 1 2/m 1'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
K   0.28380   0.00000   0.13730   1.00000   0.02824
Si1   0.00950   0.18440   0.22390   0.65000   0.01153
Al1   0.00950   0.18440   0.22390   0.35000   0.01153
Si2   0.70890   0.11780   0.34430   0.85000   0.01013
Al2   0.70890   0.11780   0.34430   0.15000   0.01013
OA1   0.00000   0.14590   0.00000   1.00000   0.02280
OA2   0.63460   0.00000   0.28510   1.00000   0.02280
OB   0.82800   0.14700   0.22820   1.00000   0.02786
OC   0.03490   0.31060   0.26070   1.00000   0.02153
OD   0.18150   0.12580   0.40650   1.00000   0.02026