The material structure described by NaAsH4O5 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NaO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Na(1)O6 octahedra. As(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AsO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one As(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one As(1) and two equivalent H(1) atoms. In the fourth O site, O(4) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(3) atom. is represented by the CIF card [CIF]
data_NaAsH4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.223
_cell_length_b   5.632
_cell_length_c   5.918
_cell_angle_alpha   87.493
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.508
_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  0.500  0.000  0.000  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.250  0.314  0.476  1.0
  As  As3  1  0.750  0.686  0.524  1.0
  H  H4  1  0.556  0.263  0.587  1.0
  H  H5  1  0.056  0.737  0.413  1.0
  H  H6  1  0.444  0.737  0.413  1.0
  H  H7  1  0.944  0.263  0.587  1.0
  H  H8  1  0.250  0.670  0.801  1.0
  H  H9  1  0.750  0.330  0.199  1.0
  H  H10  1  0.250  0.555  0.048  1.0
  H  H11  1  0.750  0.445  0.952  1.0
  O  O12  1  0.432  0.198  0.644  1.0
  O  O13  1  0.932  0.802  0.356  1.0
  O  O14  1  0.568  0.802  0.356  1.0
  O  O15  1  0.068  0.198  0.644  1.0
  O  O16  1  0.250  0.230  0.207  1.0
  O  O17  1  0.750  0.770  0.793  1.0
  O  O18  1  0.250  0.618  0.499  1.0
  O  O19  1  0.750  0.382  0.501  1.0
  O  O20  1  0.250  0.710  0.963  1.0
  O  O21  1  0.750  0.290  0.037  1.0
[/CIF]
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The material structure described by NaAsH4O5 crystallizes in the monoclinic P2_1/m space group. Na(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NaO6 octahedra that share corners with four equivalent As(1)O4 tetrahedra and edges with two equivalent Na(1)O6 octahedra. As(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form AsO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 37-52°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(1) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Na(1), one As(1), and one H(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Na(1) and one As(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one As(1) and two equivalent H(1) atoms. In the fourth O site, O(4) is bonded in a distorted water-like geometry to two equivalent Na(1), one H(2), and one H(3) atom. is represented by the CIF card [CIF]
data_NaAsH4O5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.223
_cell_length_b   5.632
_cell_length_c   5.918
_cell_angle_alpha   87.493
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.508
_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  0.500  0.000  0.000  1.0
  Na  Na1  1  0.000  0.000  0.000  1.0
  As  As2  1  0.250  0.314  0.476  1.0
  As  As3  1  0.750  0.686  0.524  1.0
  H  H4  1  0.556  0.263  0.587  1.0
  H  H5  1  0.056  0.737  0.413  1.0
  H  H6  1  0.444  0.737  0.413  1.0
  H  H7  1  0.944  0.263  0.587  1.0
  H  H8  1  0.250  0.670  0.801  1.0
  H  H9  1  0.750  0.330  0.199  1.0
  H  H10  1  0.250  0.555  0.048  1.0
  H  H11  1  0.750  0.445  0.952  1.0
  O  O12  1  0.432  0.198  0.644  1.0
  O  O13  1  0.932  0.802  0.356  1.0
  O  O14  1  0.568  0.802  0.356  1.0
  O  O15  1  0.068  0.198  0.644  1.0
  O  O16  1  0.250  0.230  0.207  1.0
  O  O17  1  0.750  0.770  0.793  1.0
  O  O18  1  0.250  0.618  0.499  1.0
  O  O19  1  0.750  0.382  0.501  1.0
  O  O20  1  0.250  0.710  0.963  1.0
  O  O21  1  0.750  0.290  0.037  1.0
[/CIF]
.