The structure described by NaVOPO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. P(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.488
_cell_length_b   7.835
_cell_length_c   7.449
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.678
_cell_formula_units_Z   4
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  1.000  0.500  0.000  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  1.000  0.000  0.500  1.0
  Na  Na3  1  0.500  0.000  0.500  1.0
  V  V4  1  0.250  0.713  0.331  1.0
  V  V5  1  0.250  0.787  0.831  1.0
  V  V6  1  0.750  0.213  0.169  1.0
  V  V7  1  0.750  0.287  0.669  1.0
  P  P8  1  0.250  0.106  0.124  1.0
  P  P9  1  0.750  0.606  0.376  1.0
  P  P10  1  0.250  0.394  0.624  1.0
  P  P11  1  0.750  0.894  0.876  1.0
  O  O12  1  0.750  0.992  0.056  1.0
  O  O13  1  0.250  0.492  0.444  1.0
  O  O14  1  0.750  0.508  0.556  1.0
  O  O15  1  0.250  0.008  0.944  1.0
  O  O16  1  0.250  0.679  0.104  1.0
  O  O17  1  0.750  0.180  0.396  1.0
  O  O18  1  0.250  0.821  0.604  1.0
  O  O19  1  0.750  0.320  0.896  1.0
  O  O20  1  0.750  0.477  0.216  1.0
  O  O21  1  0.250  0.977  0.284  1.0
  O  O22  1  0.750  0.023  0.716  1.0
  O  O23  1  0.250  0.523  0.784  1.0
  O  O24  1  0.059  0.225  0.136  1.0
  O  O25  1  0.441  0.225  0.136  1.0
  O  O26  1  0.559  0.725  0.364  1.0
  O  O27  1  0.941  0.725  0.364  1.0
  O  O28  1  0.059  0.275  0.636  1.0
  O  O29  1  0.441  0.275  0.636  1.0
  O  O30  1  0.559  0.775  0.864  1.0
  O  O31  1  0.941  0.775  0.864  1.0
[/CIF]
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The structure described by NaVOPO4 crystallizes in the orthorhombic Pnma space group. Na(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. V(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form distorted VO6 octahedra that share corners with two equivalent V(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 31°. P(1) is bonded to one O(1), one O(3), and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 35-40°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1) and two equivalent V(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to two equivalent Na(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaVPO5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.488
_cell_length_b   7.835
_cell_length_c   7.449
_cell_angle_alpha   90.001
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   378.678
_cell_formula_units_Z   4
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  1.000  0.500  0.000  1.0
  Na  Na1  1  0.500  0.500  0.000  1.0
  Na  Na2  1  1.000  0.000  0.500  1.0
  Na  Na3  1  0.500  0.000  0.500  1.0
  V  V4  1  0.250  0.713  0.331  1.0
  V  V5  1  0.250  0.787  0.831  1.0
  V  V6  1  0.750  0.213  0.169  1.0
  V  V7  1  0.750  0.287  0.669  1.0
  P  P8  1  0.250  0.106  0.124  1.0
  P  P9  1  0.750  0.606  0.376  1.0
  P  P10  1  0.250  0.394  0.624  1.0
  P  P11  1  0.750  0.894  0.876  1.0
  O  O12  1  0.750  0.992  0.056  1.0
  O  O13  1  0.250  0.492  0.444  1.0
  O  O14  1  0.750  0.508  0.556  1.0
  O  O15  1  0.250  0.008  0.944  1.0
  O  O16  1  0.250  0.679  0.104  1.0
  O  O17  1  0.750  0.180  0.396  1.0
  O  O18  1  0.250  0.821  0.604  1.0
  O  O19  1  0.750  0.320  0.896  1.0
  O  O20  1  0.750  0.477  0.216  1.0
  O  O21  1  0.250  0.977  0.284  1.0
  O  O22  1  0.750  0.023  0.716  1.0
  O  O23  1  0.250  0.523  0.784  1.0
  O  O24  1  0.059  0.225  0.136  1.0
  O  O25  1  0.441  0.225  0.136  1.0
  O  O26  1  0.559  0.725  0.364  1.0
  O  O27  1  0.941  0.725  0.364  1.0
  O  O28  1  0.059  0.275  0.636  1.0
  O  O29  1  0.441  0.275  0.636  1.0
  O  O30  1  0.559  0.775  0.864  1.0
  O  O31  1  0.941  0.775  0.864  1.0
[/CIF]
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