#------------------------------------------------------------------------------
#$Date: 2023-05-18 12:25:40 +0300 (Thu, 18 May 2023) $
#$Revision: 283857 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/06/9000681.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_9000681
loop_
_publ_author_name
'Keefer, K. D.'
'Brown, G. E.'
_publ_section_title
;
 Crystal structures and compositions of sanidine and high albite in
 cryptoperthitic intergrowth
 Note this sample of feldspar is from the
 Rabb Canyon pegmatite, Grant County, New Mexico, USA
;
_journal_name_full               'American Mineralogist'
_journal_page_first              1264
_journal_page_last               1273
_journal_volume                  63
_journal_year                    1978
_chemical_formula_sum            'Al K0.2 Na0.8 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                92.10
_cell_angle_beta                 116.56
_cell_angle_gamma                90.21
_cell_formula_units_Z            4
_cell_length_a                   8.144
_cell_length_b                   12.989
_cell_length_c                   7.160
_cell_volume                     676.846
_database_code_amcsd             0000694
_exptl_crystal_density_diffrn    2.605
_cod_original_formula_sum        '(Na.8 K.2) (Si3 Al) O8'
_cod_database_code               9000681
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 0.26900 0.00480 0.13190 0.80000 Na 0
K 0.26900 0.00480 0.13190 0.20000 K 0
Si1o 0.00780 0.16940 0.21820 0.75000 Si 0
Al1o 0.00780 0.16940 0.21820 0.25000 Al 0
Si1m 0.00570 0.81750 0.22610 0.75000 Si 0
Al1m 0.00570 0.81750 0.22610 0.25000 Al 0
Si2o 0.68930 0.11040 0.32870 0.75000 Si 0
Al2o 0.68930 0.11040 0.32870 0.25000 Al 0
Si2m 0.68570 0.88020 0.34840 0.75000 Si 0
Al2m 0.68570 0.88020 0.34840 0.25000 Al 0
Oa1 0.00350 0.13590 0.99140 1.00000 O 0
Oa2 0.59130 0.99430 0.28210 1.00000 O 0
Obo 0.82160 0.11450 0.21080 1.00000 O 0
Obm 0.81840 0.85520 0.23780 1.00000 O 0
Oco 0.01520 0.29590 0.26580 1.00000 O 0
Ocm 0.02020 0.68930 0.23290 1.00000 O 0
Odo 0.19650 0.11680 0.39500 1.00000 O 0
Odm 0.19180 0.87100 0.41900 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
;
2023-05-18T11:36:25+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 0000694
