#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017538.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_9017538
loop_
_publ_author_name
'Ben Yahia, H.'
'Nilges, T.'
'Rodewald, U. C.'
'Pottgen, R.'
_publ_section_title
;
 New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              2017
_journal_page_last               2023
_journal_volume                  45
_journal_year                    2010
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Al2 As2 K Na O9'
_space_group_IT_number           62
_space_group_name_Hall           '-P 2ac 2n'
_space_group_name_H-M_alt        'P n m a'
_symmetry_space_group_name_H-M   'P n m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   8.2368
_cell_length_b                   5.5228
_cell_length_c                   17.0160
_cell_formula_units_Z            4
_cell_volume                     774.061
_database_code_amcsd             0020627
_exptl_crystal_density_diffrn    3.517
_cod_data_source_file            inputs/fixed/downloads/18/18033.cif
_cod_data_source_block           18033
_cod_original_formula_sum        'Na K Al2 As2 O9'
_cod_database_code               9017538
_amcsd_formula_title             NaKAl2O(AsO4)2
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,z
-x,1/2+y,-z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
1/2+x,y,1/2-z
1/2-x,-y,1/2+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
Na 0.58960 0.25000 0.36500 0.02990
K 0.45218 0.75000 0.23191 0.02210
Al1 0.78193 0.75000 0.06151 0.00620
Al2 0.50000 0.00000 0.00000 0.00500
As1 0.69010 0.25000 0.14812 0.00598
As2 0.17059 0.75000 0.05973 0.00560
O1 0.59800 0.25000 0.23320 0.01890
O2 0.80960 0.00370 0.13400 0.01130
O3 0.54240 0.25000 0.07610 0.00640
O4 0.27130 -0.00010 0.02605 0.00810
O5 0.16960 0.75000 0.15550 0.02200
O6 0.98520 0.75000 0.01980 0.00970
O7 0.55710 0.75000 0.06339 0.00560
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020627
