#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/21/9002196.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_9002196
loop_
_publ_author_name
'Meneghinello, E.'
'Alberti, A.'
'Cruciani, G.'
_publ_section_title
;
 Order-disorder process in the tetrahedral sites af albite
 Sample: untreated
 Note: this sample of feldspar is from Stintino, Sardinia, Italy
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1144
_journal_page_last               1151
_journal_volume                  84
_journal_year                    1999
_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                94.23
_cell_angle_beta                 116.64
_cell_angle_gamma                87.72
_cell_formula_units_Z            4
_cell_length_a                   8.133
_cell_length_b                   12.773
_cell_length_c                   7.159
_cell_volume                     662.918
_exptl_crystal_density_diffrn    2.627
_cod_original_formula_sum        'Al Si3 Na O8'
_cod_database_code               9002196
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
Allo 0.00900 0.16840 0.20850 0.96000 Al 0
Silo 0.00900 0.16840 0.20850 0.04000 Si 0
Silm 0.00390 0.82050 0.23730 0.97000 Si 0
Allm 0.00390 0.82050 0.23730 0.03000 Al 0
Si2o 0.69170 0.11030 0.31500 1.00000 Si 0
Si2m 0.68150 0.88180 0.36080 0.99000 Si 0
Al2m 0.68150 0.88180 0.36080 0.01000 Al 0
Na 0.26810 0.98880 0.14620 1.00000 Na 0
OA1 0.00450 0.13100 0.96630 1.00000 O 0
OA2 0.59120 0.99730 0.28050 1.00000 O 0
OBo 0.81260 0.10950 0.19070 1.00000 O 0
OBm 0.82010 0.85090 0.25910 1.00000 O 0
OCo 0.01310 0.30210 0.26980 1.00000 O 0
OCm 0.02390 0.69370 0.22880 1.00000 O 0
ODo 0.20740 0.10910 0.38910 1.00000 O 0
ODm 0.18320 0.86780 0.43650 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
;
2023-05-23T09:14:20+03:00
;Derived atom types and hydrogen counts
from atom names that follow the AMCSD naming convention
(Wat == water, O-H == hydroxyl).
;
