#------------------------------------------------------------------------------
#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/03/9000303.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9000303
loop_
_publ_author_name
'Phillips, M. W.'
'Ribbe, P. H.'
_publ_section_title
;
 The structures of monoclinic potassium-rich feldspars
;
_journal_name_full               'American Mineralogist'
_journal_page_first              263
_journal_page_last               270
_journal_volume                  58
_journal_year                    1973
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_mineral           Sanidine
_space_group_IT_number           12
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 115.99
_cell_angle_gamma                90
_cell_length_a                   8.539
_cell_length_b                   13.015
_cell_length_c                   7.179
_cell_volume                     717.154
_exptl_crystal_density_diffrn    2.578
_[local]_cod_chemical_formula_sum_orig '(Si3 Al) K O8'
_cod_database_code               9000303
_amcsd_database_code             AMCSD#0000311
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_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si1 0.00925 0.00944 0.00781 -0.00202 0.00351 -0.00085
Al1 0.00925 0.00944 0.00781 -0.00202 0.00351 -0.00085
Si2 0.00836 0.00687 0.00844 -0.00051 0.00301 -0.00043
Al2 0.00836 0.00687 0.00844 -0.00051 0.00301 -0.00043
K 0.01910 0.03089 0.02764 0.00000 0.00728 0.00000
OA(1) 0.02567 0.01630 0.01856 0.00000 0.01129 0.00000
OA(2) 0.01970 0.01116 0.02067 0.00000 0.00401 0.00000
OB 0.02089 0.02832 0.02489 -0.00405 0.01305 0.00043
OC 0.01582 0.01459 0.01920 -0.00253 0.00552 -0.00255
OD 0.01970 0.01802 0.01603 0.00101 0.00452 0.00085
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Si1 0.00940 0.18430 0.22390 0.71000
Al1 0.00940 0.18430 0.22390 0.29000
Si2 0.70790 0.11770 0.34440 0.79000
Al2 0.70790 0.11770 0.34440 0.21000
K 0.28390 0.00000 0.13660 1.00000
OA(1) 0.00000 0.14610 0.00000 1.00000
OA(2) 0.63300 0.00000 0.28510 1.00000
OB 0.82760 0.14530 0.22560 1.00000
OC 0.03300 0.31030 0.25720 1.00000
OD 0.18130 0.12650 0.40380 1.00000