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#$Date: 2012-02-28 17:44:07 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35913 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/96/9009662.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_9009662
loop_
_publ_author_name
'Gualtieri, A. F.'
_publ_section_title
;
 Accuracy of XRPD QPA using the combined Rietveld-RIR method
 Locality: Latera, Viterbo, Italy
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              267
_journal_page_last               278
_journal_volume                  33
_journal_year                    2000
_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                 115.9855
_cell_angle_gamma                90
_cell_length_a                   8.53573
_cell_length_b                   13.03129
_cell_length_c                   7.17536
_cell_volume                     717.440
_exptl_crystal_density_diffrn    2.577
_[local]_cod_chemical_formula_sum_orig 'K (Al Si3) O8'
_cod_database_code               9009662
_amcsd_database_code             AMCSD#0012494
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_U_iso_or_equiv
K 0.28400 0.00000 0.13710 1.00000 0.02700
Al1 0.00930 0.18440 0.22380 0.25000 0.01000
Si1 0.00930 0.18440 0.22380 0.75000 0.01000
Al2 0.70760 0.11770 0.34430 0.25000 0.01100
Si2 0.70760 0.11770 0.34430 0.75000 0.01100
O1 0.00000 0.14610 0.00000 1.00000 0.02300
O2 0.63400 0.00000 0.28550 1.00000 0.01900
O3 0.82770 0.14540 0.22780 1.00000 0.02000
O4 0.03380 0.30980 0.25770 1.00000 0.02500
O5 0.18120 0.12640 0.40520 1.00000 0.02400