#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/81/9008144.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_9008144
loop_
_publ_author_name
'Felsche, J.'
_publ_section_title
;
 The alkali problem in the crystal structure of beta alumina
;
_journal_name_full               'Zeitschrift fur Kristallographie'
_journal_page_first              94
_journal_page_last               100
_journal_paper_doi               10.1524/zkri.1968.127.1-4.94
_journal_volume                  127
_journal_year                    1968
_chemical_formula_structural     Na2Al22O34
_chemical_formula_sum            'Al11 Na O17'
_chemical_name_mineral           Diaoyudaoite
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.5962
_cell_length_b                   5.5962
_cell_length_c                   22.526
_cell_formula_units_Z            2
_cell_volume                     610.944
_database_code_amcsd             0010660
_exptl_crystal_density_diffrn    3.217
_cod_database_code               9008144
loop_
_space_group_symop_operation_xyz
x,y,z
-x,-x+y,1/2+z
x,x-y,1/2-z
-x+y,-x,1/2-z
x-y,x,1/2+z
-y,-x,z
y,x,-z
y,-x+y,-z
-y,x-y,z
x-y,-y,1/2+z
-x+y,y,1/2-z
x,y,1/2-z
-x,-y,1/2+z
x,x-y,z
-x,-x+y,-z
x-y,x,-z
-x+y,-x,z
y,x,1/2+z
-y,-x,1/2-z
-y,x-y,1/2-z
y,-x+y,1/2+z
-x+y,y,z
x-y,-y,-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Al1 0.16650 0.33310 0.60600 0.00583
Al2 0.33333 0.66667 0.02480 0.00481
Al3 0.33333 0.66667 0.17530 0.00481
Al4 0.00000 0.00000 0.00000 0.00532
Na 0.66667 0.33333 0.25000 0.02356
O1 0.16240 0.32490 0.04960 0.00874
O2 0.50160 0.00320 0.14640 0.00494
O3 0.33333 0.66667 0.55400 0.00456
O4 0.00000 0.00000 0.14210 0.00545
O5 0.33333 0.66667 0.25000 0.01216
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0010660
