#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/67/9016734.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_9016734
loop_
_publ_author_name
'Harlow, G. E.'
_publ_section_title
;
 The anorthoclase structures: The effects of temperature and composition
 Note: Or = 22.3, T = 510 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              975
_journal_page_last               996
_journal_volume                  67
_journal_year                    1982
_chemical_compound_source        'Mt Gibele, Pantelleria Islands, Italy'
_chemical_formula_sum            'Al Ca0.069 K0.224 Na0.71 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 116.135
_cell_angle_gamma                90
_cell_length_a                   8.314
_cell_length_b                   12.973
_cell_length_c                   7.150
_cell_formula_units_Z            4
_cell_volume                     692.335
_database_code_amcsd             0019655
_diffrn_ambient_temperature      783.15
_exptl_crystal_density_diffrn    2.562
_cod_data_source_file            inputs/fixed/downloads/00/00025.cif
_cod_data_source_block           00025
_cod_original_formula_sum        '(Al Si3) Na.71 K.224 Ca.069 O8'
_cod_database_code               9016734
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 0.00810 0.17920 0.22360 0.25000
Si1 0.00810 0.17920 0.22360 0.75000
Al2 0.69670 0.11640 0.34220 0.25000
Si2 0.69670 0.11640 0.34220 0.75000
Na 0.27800 0.00000 0.13720 0.71000
K 0.27800 0.00000 0.13720 0.22400
Ca 0.27800 0.00000 0.13720 0.06900
O1 0.00000 0.13910 0.00000 1.00000
O2 0.60840 0.00000 0.28420 1.00000
O3 0.82300 0.13610 0.22420 1.00000
O4 0.02560 0.30440 0.25280 1.00000
O5 0.18770 0.12410 0.40630 1.00000
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0019655
