#------------------------------------------------------------------------------
#$Date: 2023-05-23 11:35:25 +0300 (Tue, 23 May 2023) $
#$Revision: 283960 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/13/9001312.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_9001312
loop_
_publ_author_name
'Fleet, M. E.'
_publ_section_title
;Structures of low gallium albite (NaGaSi3O8) and intermediate germanium
 albite (NaAlGe3O8): Tetrahedral-site ordering in sodium feldspar Sample:
 synthetic NaAlGe3O8
;
_journal_name_full               'American Mineralogist'
_journal_page_first              92
_journal_page_last               99
_journal_volume                  76
_journal_year                    1991
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al Ge3 Na O8'
_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                94.49
_cell_angle_beta                 116.25
_cell_angle_gamma                90.88
_cell_formula_units_Z            4
_cell_length_a                   8.419
_cell_length_b                   13.298
_cell_length_c                   7.354
_cell_volume                     734.999
_database_code_amcsd             0001342
_exptl_crystal_density_diffrn    3.577
_cod_original_formula_sum        '(Ge3 Al) Na O8'
_cod_database_code               9001312
_amcsd_formula_title             NaAlGe3O8
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
Ge1o 0.01066 0.15782 0.21137 0.72600 Ge 0
Al1o 0.01066 0.15782 0.21137 0.27400 Al 0
Ge1m 0.00205 0.81213 0.22968 0.62500 Ge 0
Al1m 0.00205 0.81213 0.22968 0.37500 Al 0
Ge2o 0.68829 0.10494 0.31238 0.81500 Ge 0
Al2o 0.68829 0.10494 0.31238 0.18500 Al 0
Ge2m 0.67675 0.87440 0.35631 0.83400 Ge 0
Al2m 0.67675 0.87440 0.35631 0.16600 Al 0
Na 0.27320 0.01870 0.12118 1.00000 Na 0
OA1 0.01050 0.12810 0.97830 1.00000 O 0
OA2 0.57580 0.98650 0.27130 1.00000 O 0
OBo 0.82020 0.09200 0.18390 1.00000 O 0
OBm 0.80800 0.83630 0.24430 1.00000 O 0
OCo 0.00330 0.28370 0.28750 1.00000 O 0
OCm 0.01520 0.68220 0.19710 1.00000 O 0
ODo 0.20420 0.10580 0.37950 1.00000 O 0
ODm 0.19140 0.86450 0.43230 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
;
2023-05-23T09:19:02+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 0001342
