The material structure described by NaVSiO4 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent V(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent V(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_NaVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.059
_cell_length_c   6.707
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   115.042
_symmetry_Int_Tables_number   1
_cell_volume   155.539
_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  0.316  0.684  0.250  1.0
  Na  Na1  1  0.684  0.316  0.750  1.0
  O  O2  1  0.224  0.776  0.556  1.0
  O  O3  1  0.224  0.776  0.944  1.0
  O  O4  1  0.776  0.224  0.056  1.0
  O  O5  1  0.776  0.224  0.444  1.0
  O  O6  1  0.703  0.795  0.750  1.0
  O  O7  1  0.795  0.703  0.250  1.0
  O  O8  1  0.205  0.297  0.750  1.0
  O  O9  1  0.297  0.205  0.250  1.0
  Si  Si10  1  0.339  0.661  0.750  1.0
  Si  Si11  1  0.661  0.339  0.250  1.0
  V  V12  1  1.000  1.000  1.000  1.0
  V  V13  1  0.000  1.000  0.500  1.0
[/CIF]
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The material structure described by NaVSiO4 crystallizes in the orthorhombic Cmcm space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(1) and four equivalent O(2) atoms. V(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form VO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent V(1)O6 octahedra. Si(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form SiO4 tetrahedra that share corners with six equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-53°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one Si(1) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to two equivalent Na(1), two equivalent V(1), and one Si(1) atom. is represented by the CIF file [CIF]
data_NaVSiO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.059
_cell_length_b   5.059
_cell_length_c   6.707
_cell_angle_alpha   89.999
_cell_angle_beta   89.999
_cell_angle_gamma   115.042
_symmetry_Int_Tables_number   1
_cell_volume   155.539
_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  0.316  0.684  0.250  1.0
  Na  Na1  1  0.684  0.316  0.750  1.0
  O  O2  1  0.224  0.776  0.556  1.0
  O  O3  1  0.224  0.776  0.944  1.0
  O  O4  1  0.776  0.224  0.056  1.0
  O  O5  1  0.776  0.224  0.444  1.0
  O  O6  1  0.703  0.795  0.750  1.0
  O  O7  1  0.795  0.703  0.250  1.0
  O  O8  1  0.205  0.297  0.750  1.0
  O  O9  1  0.297  0.205  0.250  1.0
  Si  Si10  1  0.339  0.661  0.750  1.0
  Si  Si11  1  0.661  0.339  0.250  1.0
  V  V12  1  1.000  1.000  1.000  1.0
  V  V13  1  0.000  1.000  0.500  1.0
[/CIF]
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