#------------------------------------------------------------------------------
#$Date: 2023-07-08 10:42:25 +0300 (Sat, 08 Jul 2023) $
#$Revision: 285095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/67/9016757.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_9016757
loop_
_publ_author_name
'Winter, J. K.'
'Okamura, F. P.'
'Ghose, S.'
_publ_section_title
;
 A high-temperature structural study of high albite, monalbite, and the
 analbite - monalbite phase transition
 T = 980 C
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_compound_source        'Tiburon, Marin County, California, USA'
_chemical_formula_sum            'Al K0.002 Na0.998 O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_space_group_name_Hall           '-C 1'
_space_group_name_H-M_alt        'C -1'
_symmetry_space_group_name_H-M   'C -1'
_cell_angle_alpha                90.8
_cell_angle_beta                 116.1
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   8.259
_cell_length_b                   12.975
_cell_length_c                   7.151
_cell_volume                     688.080
_database_code_amcsd             0000718
_diffrn_ambient_temperature      1253.15
_exptl_crystal_density_diffrn    2.532
_cod_data_source_file            inputs/fixed/downloads/00/00797.cif
_cod_data_source_block           00797
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016757
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
_atom_site_type_symbol
_atom_site_attached_hydrogens
Na 0.27890 0.00070 0.13860 0.99750 Na 0
K 0.27890 0.00070 0.13860 0.00250 K 0
Si1o 0.00820 0.17570 0.22170 0.75000 Si 0
Al1o 0.00820 0.17570 0.22170 0.25000 Al 0
Si1m 0.00740 0.81990 0.22450 0.75000 Si 0
Al1m 0.00740 0.81990 0.22450 0.25000 Al 0
Si2o 0.69520 0.11460 0.33820 0.75000 Si 0
Al2o 0.69520 0.11460 0.33820 0.25000 Al 0
Si2m 0.69440 0.88240 0.34480 0.75000 Si 0
Al2m 0.69440 0.88240 0.34480 0.25000 Al 0
Oa1 0.00070 0.13900 0.99700 1.00000 O 0
Oa2 0.60510 0.99820 0.28430 1.00000 O 0
Obo 0.82310 0.13020 0.21990 1.00000 O 0
Obm 0.82330 0.86080 0.22930 1.00000 O 0
Oco 0.02430 0.30120 0.25960 1.00000 O 0
Ocm 0.02480 0.69430 0.24770 1.00000 O 0
Odo 0.18940 0.12110 0.40220 1.00000 O 0
Odm 0.18810 0.87410 0.40950 1.00000 O 0
loop_
_cod_changelog_entry_id
_cod_changelog_entry_author
_cod_changelog_entry_date
_cod_changelog_entry_text
1
;cod-tools version 3.8.0
Id: cif_guess_AMCSD_atom_types 9581 2023-05-17 12:35:41Z saulius
;
2023-05-23T09:22:11+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0000718
