#------------------------------------------------------------------------------
#$Date: 2023-07-08 10:42:25 +0300 (Sat, 08 Jul 2023) $
#$Revision: 285095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/67/9016756.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_9016756
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 = 750 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                92
_cell_angle_beta                 116.17
_cell_angle_gamma                90.06
_cell_formula_units_Z            4
_cell_length_a                   8.234
_cell_length_b                   12.955
_cell_length_c                   7.143
_cell_volume                     683.315
_database_code_amcsd             0000717
_diffrn_ambient_temperature      1023.15
_exptl_crystal_density_diffrn    2.549
_cod_data_source_file            inputs/fixed/downloads/00/00796.cif
_cod_data_source_block           00796
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016756
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 0.27740 0.00240 0.13780 0.99750 Na 0
K 0.27740 0.00240 0.13780 0.00250 K 0
Si1o 0.00870 0.17180 0.21910 0.75000 Si 0
Al1o 0.00870 0.17180 0.21910 0.25000 Al 0
Si1m 0.00650 0.81730 0.22660 0.75000 Si 0
Al1m 0.00650 0.81730 0.22660 0.25000 Al 0
Si2o 0.69410 0.11210 0.33160 0.75000 Si 0
Al2o 0.69410 0.11210 0.33160 0.25000 Al 0
Si2m 0.69200 0.88040 0.34910 0.75000 Si 0
Al2m 0.69200 0.88040 0.34910 0.25000 Al 0
Oa1 0.00260 0.13830 0.99160 1.00000 O 0
Oa2 0.60130 0.99490 0.28230 1.00000 O 0
Obo 0.82310 0.12230 0.21230 1.00000 O 0
Obm 0.82250 0.85460 0.23730 1.00000 O 0
Oco 0.02200 0.29720 0.26670 1.00000 O 0
Ocm 0.02330 0.69090 0.23650 1.00000 O 0
Odo 0.19130 0.11740 0.39620 1.00000 O 0
Odm 0.18850 0.87100 0.41600 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
;
2023-05-23T09:22:09+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 0000717
