data_global
_amcsd_formula_title 'Na3AsO4(NaOH).13*12H2O'
loop_
_publ_author_name
'Tillmanns E'
'Baur W H'
_journal_name_full 'Acta Crystallographica, Section B'
_journal_volume 27 
_journal_year 1971
_journal_page_first 2124
_journal_page_last 2132
_publ_section_title
;
 On the crystal chemistry of salt hydrates. VII. The crystal structures of pseudo
 trisodium orthoarsenate dodecahydrate and the isomorphous phosphate and vanadate salts
;
_database_code_amcsd 0009402
_chemical_formula_sum 'Na6.26 As2 O32.26 H48.26'
_cell_length_a 12.017
_cell_length_b 12.017
_cell_length_c 12.783
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 1598.658
_exptl_crystal_density_diffrn      1.784
_symmetry_space_group_name_H-M 'P -3 c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '-y,-x,1/2+z'
  'y,-x+y,-z'
  '-x,-x+y,1/2-z'
  '-x+y,-x,z'
  '-x+y,y,1/2+z'
  '-x,-y,-z'
  'y,x,1/2-z'
  '-y,x-y,z'
  'x,x-y,1/2+z'
  'x-y,x,-z'
  'x-y,-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Na1   0.34730  -0.02010   0.02750   1.00000
As   0.33333   0.66667   0.71260   1.00000
NaA   0.00000   0.00000   0.00000   0.26000
O-HA   0.00000   0.00000   0.00000   0.26000
O1   0.33333   0.66667   0.58200   1.00000
O2   0.47270   0.68610   0.75680   1.00000
Wat3   0.45430   0.21070   0.04030   1.00000
Wat4  -0.00610   0.52780   0.37780   1.00000
Wat5   0.10410   0.31760   0.18170   1.00000
Wat6   0.01770   0.18720   0.91400   1.00000
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
Na1 0.05569 0.04175 0.03667 0.02025 0.01011 0.00000
As 0.02151 0.02151 0.01772 0.01075 0.00000 0.00000
NaA 0.04560 0.04560 0.09238 0.02277 0.00000 0.00000
O-HA 0.04560 0.04560 0.09238 0.02277 0.00000 0.00000
O1 0.04175 0.04175 0.02152 0.02085 0.00000 0.00000
O2 0.03166 0.02908 0.03667 0.01772 0.00121 0.00000
Wat3 0.03923 0.03040 0.03667 0.01772 -0.00249 -0.00249
Wat4 0.03418 0.04812 0.02533 0.01646 0.00121 -0.00121
Wat5 0.04302 0.04049 0.04048 0.01772 0.00249 -0.00121
Wat6 0.08609 0.10634 0.15828 0.04812 -0.03040 -0.01516