#------------------------------------------------------------------------------
#$Date: 2024-04-18 18:56:43 +0300 (Thu, 18 Apr 2024) $
#$Revision: 291269 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/08/9000856.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_9000856
loop_
_publ_author_name
'Harlow, G. E.'
_publ_section_title
;
 The anorthoclase structures: The effects of temperature and composition
 Grande Caldeira, Or = 32.5, T = 400 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        'Grande Calderira, Azores'
_chemical_formula_sum            'Al K0.333 Na0.667 O8 Si3'
_chemical_name_mineral           Anorthoclase
_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                 116.109
_cell_angle_gamma                90
_cell_length_a                   8.3482
_cell_length_b                   12.9800
_cell_length_c                   7.1582
_cell_formula_units_Z            4
_cell_volume                     696.510
_database_code_amcsd             0000875
_diffrn_ambient_temperature      673.15
_exptl_crystal_density_diffrn    2.552
_cod_original_formula_sum        '(Al Si3) (Na.667 K.333) O8'
_cod_database_code               9000856
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
Al1 0.00910 0.17970 0.22380 0.25000
Si1 0.00910 0.17970 0.22380 0.75000
Al2 0.69850 0.11670 0.34310 0.25000
Si2 0.69850 0.11670 0.34310 0.75000
Na 0.27960 0.00000 0.13660 0.66700
K 0.27960 0.00000 0.13660 0.33300
O1 0.00000 0.14080 0.00000 1.00000
O2 0.61570 0.00000 0.28840 1.00000
O3 0.82420 0.13730 0.22360 1.00000
O4 0.02750 0.30780 0.25440 1.00000
O5 0.18830 0.12480 0.40870 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000875
