data_global
_amcsd_formula_title 'NaKAl2O(AsO4)2'
loop_
_publ_author_name
'Ben Yahia H'
'Nilges T'
'Rodewald U C'
'Pottgen R'
_journal_name_full 'Materials Research Bulletin'
_journal_volume 45 
_journal_year 2010
_journal_page_first 2017
_journal_page_last 2023
_publ_section_title
;
 New arsenates (V) NaKAl2O(AsO4)2 and Na2KAl3(AsO4)4
;
_database_code_amcsd 0020627
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Na K Al2 As2 O9'
_cell_length_a 8.2368
_cell_length_b 5.5228
_cell_length_c 17.0160
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 774.061
_exptl_crystal_density_diffrn      3.517
_symmetry_space_group_name_H-M 'P n m a'
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_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Na 0.04750 0.02350 0.01870 0.00000 -0.00450 0.00000
K 0.01830 0.03120 0.01670 0.00000 -0.00490 0.00000
Al1 0.00410 0.00470 0.00960 0.00000 -0.00050 0.00000
Al2 0.00410 0.00240 0.00840 -0.00020 -0.00130 0.00040
As1 0.00714 0.00462 0.00620 0.00000 -0.00132 0.00000
As2 0.00356 0.00547 0.00776 0.00000 0.00105 0.00000
O1 0.02210 0.02630 0.00850 0.00000 0.00460 0.00000
O2 0.01150 0.00690 0.01550 0.00430 -0.00520 -0.00270
O3 0.00700 0.00500 0.00720 0.00000 -0.00330 0.00000
O4 0.00560 0.00420 0.01460 -0.00120 0.00080 0.00170
O5 0.01730 0.04500 0.00410 0.00000 0.00080 0.00000
O6 0.00340 0.01040 0.01530 0.00000 -0.00120 0.00000
O7 0.00480 0.00420 0.00780 0.00000 -0.00160 0.00000