#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000859.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_9000859
loop_
_publ_author_name
'Harlow, G. E.'
_publ_section_title
;
 The anorthoclase structures: The effects of temperature and composition
 Kakanui, Or = 13.8, T = 23 deg C
 feldspar
;
_journal_name_full               'American Mineralogist'
_journal_page_first              975
_journal_page_last               996
_journal_volume                  67
_journal_year                    1982
_chemical_compound_source        'Kakanui, New Zealand'
_chemical_formula_sum            'Al K0.15 Na0.85 O8 Si3'
_chemical_name_mineral           Anorthoclase
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                92.754
_cell_angle_beta                 116.357
_cell_angle_gamma                90.239
_cell_length_a                   8.2168
_cell_length_b                   12.9166
_cell_length_c                   7.1270
_cell_formula_units_Z            4
_cell_volume                     676.721
_database_code_amcsd             0000878
_diffrn_ambient_temperature      296.15
_exptl_crystal_density_diffrn    2.597
_cod_original_formula_sum        '(Al Si3) (Na.85 K.15) O8'
_cod_database_code               9000859
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
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Al1 0.00870 0.16860 0.21680 0.25000
Si1 0.00870 0.16860 0.21680 0.75000
Al2 0.00540 0.81530 0.22750 0.25000
Si2 0.00540 0.81530 0.22750 0.75000
Al3 0.69230 0.10990 0.32560 0.25000
Si3 0.69230 0.10990 0.32560 0.75000
Al4 0.68860 0.87890 0.35140 0.25000
Si4 0.68860 0.87890 0.35140 0.75000
Na 0.27430 0.00510 0.13500 0.85000
K 0.27430 0.00510 0.13500 0.15000
O1 0.00450 0.13690 0.98810 1.00000
O2 0.59690 0.99250 0.28180 1.00000
O3 0.82200 0.11450 0.20510 1.00000
O4 0.82030 0.84990 0.24220 1.00000
O5 0.01880 0.29400 0.27240 1.00000
O6 0.02250 0.68820 0.22670 1.00000
O7 0.19320 0.11460 0.39110 1.00000
O8 0.18820 0.86850 0.42320 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000878
