The material structure described by NaAsO6 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(6), two equivalent O(4), and three equivalent O(3) atoms. As(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one As(1), and one O(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent As(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one O(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one O(1), and one O(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one O(6) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Na(1) and one O(5) atom. is represented by the CIF card [CIF]
data_NaAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.604
_cell_length_b   6.238
_cell_length_c   8.641
_cell_angle_alpha   81.580
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.445
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.088  0.734  0.049  1.0
  Na  Na1  1  0.588  0.266  0.951  1.0
  As  As2  1  0.358  0.865  0.427  1.0
  As  As3  1  0.858  0.135  0.573  1.0
  O  O4  1  0.310  0.949  0.219  1.0
  O  O5  1  0.810  0.051  0.781  1.0
  O  O6  1  0.488  0.109  0.504  1.0
  O  O7  1  0.988  0.891  0.496  1.0
  O  O8  1  0.105  0.297  0.054  1.0
  O  O9  1  0.605  0.703  0.946  1.0
  O  O10  1  0.017  0.121  0.145  1.0
  O  O11  1  0.517  0.879  0.855  1.0
  O  O12  1  0.103  0.508  0.758  1.0
  O  O13  1  0.603  0.492  0.242  1.0
  O  O14  1  0.864  0.494  0.284  1.0
  O  O15  1  0.364  0.506  0.716  1.0
[/CIF]
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The material structure described by NaAsO6 crystallizes in the monoclinic P2_1 space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(6), two equivalent O(4), and three equivalent O(3) atoms. As(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Na(1), one As(1), and one O(4) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to two equivalent As(1) atoms. In the third O site, O(3) is bonded in a 4-coordinate geometry to three equivalent Na(1) and one O(4) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to two equivalent Na(1), one O(1), and one O(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one O(6) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Na(1) and one O(5) atom. is represented by the CIF card [CIF]
data_NaAsO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.604
_cell_length_b   6.238
_cell_length_c   8.641
_cell_angle_alpha   81.580
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   245.445
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Na  Na0  1  0.088  0.734  0.049  1.0
  Na  Na1  1  0.588  0.266  0.951  1.0
  As  As2  1  0.358  0.865  0.427  1.0
  As  As3  1  0.858  0.135  0.573  1.0
  O  O4  1  0.310  0.949  0.219  1.0
  O  O5  1  0.810  0.051  0.781  1.0
  O  O6  1  0.488  0.109  0.504  1.0
  O  O7  1  0.988  0.891  0.496  1.0
  O  O8  1  0.105  0.297  0.054  1.0
  O  O9  1  0.605  0.703  0.946  1.0
  O  O10  1  0.017  0.121  0.145  1.0
  O  O11  1  0.517  0.879  0.855  1.0
  O  O12  1  0.103  0.508  0.758  1.0
  O  O13  1  0.603  0.492  0.242  1.0
  O  O14  1  0.864  0.494  0.284  1.0
  O  O15  1  0.364  0.506  0.716  1.0
[/CIF]
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