#------------------------------------------------------------------------------
#$Date: 2023-05-18 12:25:40 +0300 (Thu, 18 May 2023) $
#$Revision: 283857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/07/9000785.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_9000785
loop_
_publ_author_name
'Harlow, G. E.'
'Brown, G. E.'
_publ_section_title
;
 Low albite: An X-Ray and neutron diffraction study
 Sample: neutron single Na atom
 Note: this sample of feldspar is from Amelia, Virginia
;
_journal_name_full               'American Mineralogist'
_journal_page_first              986
_journal_page_last               995
_journal_volume                  65
_journal_year                    1980
_chemical_formula_sum            'Al1.005 Na0.986 O8 Si2.995'
_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                94.19
_cell_angle_beta                 116.61
_cell_angle_gamma                87.68
_cell_formula_units_Z            4
_cell_length_a                   8.142
_cell_length_b                   12.785
_cell_length_c                   7.159
_cell_volume                     664.477
_database_code_amcsd             0000799
_exptl_crystal_density_diffrn    2.618
_cod_original_formula_sum        'Al1.005 Si2.995 Na.986 O8'
_cod_database_code               9000785
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
Al1o 0.00901 0.16862 0.20806 0.97000 Al 0
Si1o 0.00901 0.16862 0.20806 0.03000 Si 0
Si1m 0.00386 0.82062 0.23728 0.96500 Si 0
Al1m 0.00386 0.82062 0.23728 0.03500 Al 0
Si2o 0.69209 0.11036 0.31508 1.00000 Si 0
Si2m 0.68152 0.88195 0.36078 1.00000 Si 0
Na1 0.26849 0.98870 0.14672 0.98600 Na 0
Oa1 0.00490 0.12115 0.96638 1.00000 O 0
Oa2 0.59229 0.99755 0.28053 1.00000 O 0
Obo 0.81231 0.11013 0.19056 1.00000 O 0
Obm 0.82027 0.85114 0.25876 1.00000 O 0
Oco 0.01342 0.30252 0.27026 1.00000 O 0
Ocm 0.02398 0.69389 0.22991 1.00000 O 0
Odo 0.20770 0.10901 0.38910 1.00000 O 0
Odm 0.18364 0.86819 0.43609 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
;
2023-05-18T11:36:31+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 0000799
