#------------------------------------------------------------------------------
#$Date: 2023-07-08 10:42:25 +0300 (Sat, 08 Jul 2023) $
#$Revision: 285095 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/67/9016758.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_9016758
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 = 1040 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                90.22
_cell_angle_beta                 116.05
_cell_angle_gamma                89.96
_cell_formula_units_Z            4
_cell_length_a                   8.270
_cell_length_b                   12.978
_cell_length_c                   7.154
_cell_volume                     689.817
_database_code_amcsd             0000719
_diffrn_ambient_temperature      1313.15
_exptl_crystal_density_diffrn    2.525
_cod_data_source_file            inputs/fixed/downloads/00/00798.cif
_cod_data_source_block           00798
_cod_original_formula_sum        '(Na.998 K.002) (Si3 Al) O8'
_cod_database_code               9016758
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 0.27940 0.00000 0.13780 0.99750 Na 0
K 0.27940 0.00000 0.13780 0.00250 K 0
Si1o 0.00810 0.17760 0.22390 0.75000 Si 0
Al1o 0.00810 0.17760 0.22390 0.25000 Al 0
Si1m 0.00780 0.82120 0.22360 0.75000 Si 0
Al1m 0.00780 0.82120 0.22360 0.25000 Al 0
Si2o 0.69550 0.11580 0.34090 0.75000 Si 0
Al2o 0.69550 0.11580 0.34090 0.25000 Al 0
Si2m 0.69530 0.88340 0.34270 0.75000 Si 0
Al2m 0.69530 0.88340 0.34270 0.25000 Al 0
Oa1 0.99990 0.13890 0.99890 1.00000 O 0
Oa2 0.60610 0.99960 0.28440 1.00000 O 0
Obo 0.82360 0.13340 0.22310 1.00000 O 0
Obm 0.82370 0.86410 0.22610 1.00000 O 0
Oco 0.02480 0.30300 0.25560 1.00000 O 0
Ocm 0.02460 0.69560 0.25240 1.00000 O 0
Odo 0.18870 0.12260 0.40440 1.00000 O 0
Odm 0.18820 0.87620 0.40630 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
;
2023-05-23T09:22:13+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 0000719
