The crystal structure described by NaVAsO5 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. As(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one V(1), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one V(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Na(1), one V(1), and one As(1) atom to form distorted edge-sharing ONa2VAs tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one V(1), and one As(1) atom. is represented by the CIF file [CIF]
data_NaVAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.594
_cell_length_c   7.214
_cell_angle_alpha   104.676
_cell_angle_beta   104.676
_cell_angle_gamma   105.054
_symmetry_Int_Tables_number   1
_cell_volume   198.232
_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
  As  As0  1  0.184  0.316  0.250  1.0
  As  As1  1  0.816  0.684  0.750  1.0
  Na  Na2  1  0.172  0.328  0.750  1.0
  Na  Na3  1  0.828  0.672  0.250  1.0
  O  O4  1  0.874  0.247  0.085  1.0
  O  O5  1  0.253  0.626  0.415  1.0
  O  O6  1  0.126  0.753  0.915  1.0
  O  O7  1  0.747  0.374  0.585  1.0
  O  O8  1  0.814  0.898  0.615  1.0
  O  O9  1  0.602  0.686  0.885  1.0
  O  O10  1  0.186  0.102  0.385  1.0
  O  O11  1  0.398  0.314  0.115  1.0
  O  O12  1  0.559  0.941  0.250  1.0
  O  O13  1  0.441  0.059  0.750  1.0
  V  V14  1  0.500  1.000  0.500  1.0
  V  V15  1  0.500  1.000  1.000  1.0
[/CIF]
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The crystal structure described by NaVAsO5 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(5), two equivalent O(2), and two equivalent O(4) atoms. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent As(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 32°. As(1) is bonded to one O(1), one O(2), one O(4), and one O(5) atom to form AsO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-57°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one Na(1), one V(1), and one As(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Na(1), one V(1), and one As(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Na(1) and two equivalent V(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Na(1), one V(1), and one As(1) atom to form distorted edge-sharing ONa2VAs tetrahedra. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Na(1), one V(1), and one As(1) atom. is represented by the CIF file [CIF]
data_NaVAsO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.594
_cell_length_b   5.594
_cell_length_c   7.214
_cell_angle_alpha   104.676
_cell_angle_beta   104.676
_cell_angle_gamma   105.054
_symmetry_Int_Tables_number   1
_cell_volume   198.232
_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
  As  As0  1  0.184  0.316  0.250  1.0
  As  As1  1  0.816  0.684  0.750  1.0
  Na  Na2  1  0.172  0.328  0.750  1.0
  Na  Na3  1  0.828  0.672  0.250  1.0
  O  O4  1  0.874  0.247  0.085  1.0
  O  O5  1  0.253  0.626  0.415  1.0
  O  O6  1  0.126  0.753  0.915  1.0
  O  O7  1  0.747  0.374  0.585  1.0
  O  O8  1  0.814  0.898  0.615  1.0
  O  O9  1  0.602  0.686  0.885  1.0
  O  O10  1  0.186  0.102  0.385  1.0
  O  O11  1  0.398  0.314  0.115  1.0
  O  O12  1  0.559  0.941  0.250  1.0
  O  O13  1  0.441  0.059  0.750  1.0
  V  V14  1  0.500  1.000  0.500  1.0
  V  V15  1  0.500  1.000  1.000  1.0
[/CIF]
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