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#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000161.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000161
_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
 Note: 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
_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   0.28350   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