#------------------------------------------------------------------------------
#$Date: 2009-05-13 21:45:18 +0300 (Wed, 13 May 2009) $
#$Revision: 720 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011187.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_1011187
_chemical_name_systematic          'Potassium tecto-alumotrisilicate'
_chemical_name_mineral             'Sanidine'
_chemical_compound_source          'from Mt. Vesuvius, Italy'
_chemical_formula_structural       'K (Al Si3 O8)'
_chemical_formula_sum              'Al K O8 Si3'
_publ_section_title
;
The structure of sanidine and other felspars
;
loop_
_publ_author_name                  'Taylor, W H'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    87
_journal_year                      1934
_journal_page_first                464
_journal_page_last                 481
_cell_length_a                     8.45
_cell_length_b                     12.95
_cell_length_c                     7.1
_cell_angle_alpha                  90
_cell_angle_beta                   116.1
_cell_angle_gamma                  90
_cell_volume                       697.7
_cell_formula_units_Z              4
_exptl_crystal_density_meas        2.57
_symmetry_space_group_name_H-M     'C 1 2/m 1'
_symmetry_Int_Tables_number        12
_symmetry_cell_setting             monoclinic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x,-y,z'
  '-x,-y,-z'
  '-x,y,-z'
  '1/2+x,1/2+y,z'
  '1/2+x,1/2-y,z'
  '1/2-x,1/2-y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  O2-   -2.000
  Si4+   4.000
  Al3+   3.000
  K1+    1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  O1    O2-    4 g 0. 0.139 0. 1.  0 d
  O2    O2-    4 i 0.658 0. 0.237 1.  0 d
  O3    O2-    8 j 0.821 0.153 0.237 1.  0 d
  O4    O2-    8 j 0. 0.319 0.251 1.  0 d
  O5    O2-    8 j 0.152 0.125 0.417 1.  0 d
  Si1   Si4+   8 j 0. 0.186 0.217 0.75  0 d
  Si2   Si4+   8 j 0.702 0.111 0.347 0.75  0 d
  Al1   Al3+   8 j 0. 0.186 0.217 0.25  0 d
  Al2   Al3+   8 j 0.702 0.111 0.347 0.25  0 d
  K1    K1+    4 i 0.294 0. 0.139 1.  0 d