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#$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $
#$Revision: 282068 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/01/9000162.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_9000162
loop_
_publ_author_name
'Colville, A. A.'
'Ribbe, P. H.'
_publ_section_title
;
 The crystal structure of an adularia and a refinement of the structure of
 orthoclase
 Spencer C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              25
_journal_page_last               37
_journal_volume                  53
_journal_year                    1968
_chemical_compound_source
'St. Gotthard, Switzerland, known as Spencer C'
_chemical_formula_sum            'Al K O8 Si3'
_chemical_name_mineral           Orthoclase
_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                 116.01
_cell_angle_gamma                90
_cell_length_a                   8.561
_cell_length_b                   12.996
_cell_length_c                   7.192
_cell_volume                     719.129
_database_code_amcsd             0000167
_exptl_crystal_density_diffrn    2.571
_cod_original_formula_sum        'K (Si3 Al) O8'
_cod_database_code               9000162
loop_
_space_group_symop_operation_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 0.28380 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
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000167