#------------------------------------------------------------------------------
#$Date: 2023-05-18 12:25:40 +0300 (Thu, 18 May 2023) $
#$Revision: 283857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000706.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_9000706
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
 Note: this sample of feldspar is from Tiburon, Marin County, California, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              409
_journal_page_last               423
_journal_volume                  64
_journal_year                    1979
_chemical_formula_sum            'Al Na O8 Si3'
_chemical_name_mineral           Albite
_space_group_IT_number           2
_symmetry_space_group_name_Hall  '-P 1 (1/2*x+1/2*y,1/2*x-1/2*y,-z)'
_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
_diffrn_ambient_temperature      1313.15
_exptl_crystal_density_diffrn    2.525
_cod_original_formula_sum        'Na (Si3 Al) O8'
_cod_database_code               9000706
loop_
_symmetry_equiv_pos_as_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 1.00000 0.13780 1.00000 Na 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
;
2023-05-18T11:36:27+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
