#------------------------------------------------------------------------------
#$Date: 2023-05-18 12:25:40 +0300 (Thu, 18 May 2023) $
#$Revision: 283857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000702.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_9000702
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 = 25 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                93.53
_cell_angle_beta                 116.46
_cell_angle_gamma                90.24
_cell_formula_units_Z            4
_cell_length_a                   8.161
_cell_length_b                   12.875
_cell_length_c                   7.110
_cell_volume                     667.122
_diffrn_ambient_temperature      298.15
_exptl_crystal_density_diffrn    2.611
_cod_original_formula_sum        'Na (Si3 Al) O8'
_cod_database_code               9000702
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 0.27370 0.00750 0.13320 1.00000 Na 0
Si1o 0.00900 0.16490 0.21470 0.75000 Si 0
Al1o 0.00900 0.16490 0.21470 0.25000 Al 0
Si1m 0.00480 0.81460 0.22890 0.75000 Si 0
Al1m 0.00480 0.81460 0.22890 0.25000 Al 0
Si2o 0.69040 0.10800 0.32020 0.75000 Si 0
Al2o 0.69040 0.10800 0.32020 0.25000 Al 0
Si2m 0.68490 0.87760 0.35370 0.75000 Si 0
Al2m 0.68490 0.87760 0.35370 0.25000 Al 0
Oa1 0.00530 0.13480 0.98440 1.00000 O 0
Oa2 0.59170 0.99080 0.27870 1.00000 O 0
Obo 0.82140 0.10860 0.19910 1.00000 O 0
Obm 0.81880 0.84720 0.24560 1.00000 O 0
Oco 0.01590 0.29060 0.27730 1.00000 O 0
Ocm 0.02170 0.68720 0.21840 1.00000 O 0
Odo 0.19620 0.11220 0.38790 1.00000 O 0
Odm 0.18840 0.86740 0.42670 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
;
2023-05-18T11:36:26+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
