The structure described by NaVOPO4 crystallizes in the orthorhombic Pna2_1 space group. Na(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. There are five 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 P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar 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   6.355
_cell_length_b   6.355
_cell_length_c   10.537
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.576
_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  0.508  0.508  0.754  1.0
  Na  Na1  1  0.992  0.508  0.254  1.0
  Na  Na2  1  0.008  0.008  0.746  1.0
  Na  Na3  1  0.492  0.008  0.246  1.0
  V  V4  1  0.749  0.753  0.528  1.0
  V  V5  1  0.751  0.753  0.028  1.0
  V  V6  1  0.249  0.253  0.972  1.0
  V  V7  1  0.251  0.253  0.472  1.0
  P  P8  1  0.250  0.752  1.000  1.0
  P  P9  1  0.250  0.752  0.500  1.0
  P  P10  1  0.750  0.252  0.000  1.0
  P  P11  1  0.750  0.252  0.500  1.0
  O  O12  1  0.245  0.950  0.913  1.0
  O  O13  1  0.255  0.950  0.413  1.0
  O  O14  1  0.753  0.754  0.872  1.0
  O  O15  1  0.747  0.754  0.372  1.0
  O  O16  1  0.447  0.747  0.588  1.0
  O  O17  1  0.448  0.756  0.086  1.0
  O  O18  1  0.052  0.756  0.586  1.0
  O  O19  1  0.053  0.747  0.088  1.0
  O  O20  1  0.246  0.555  0.413  1.0
  O  O21  1  0.254  0.555  0.913  1.0
  O  O22  1  0.745  0.450  0.587  1.0
  O  O23  1  0.755  0.450  0.087  1.0
  O  O24  1  0.948  0.256  0.414  1.0
  O  O25  1  0.553  0.247  0.412  1.0
  O  O26  1  0.253  0.254  0.628  1.0
  O  O27  1  0.247  0.254  0.128  1.0
  O  O28  1  0.947  0.247  0.912  1.0
  O  O29  1  0.552  0.256  0.914  1.0
  O  O30  1  0.746  0.055  0.087  1.0
  O  O31  1  0.754  0.055  0.587  1.0
[/CIF]
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The structure described by NaVOPO4 crystallizes in the orthorhombic Pna2_1 space group. Na(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 60°. V(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. P(1) is bonded to one O(1), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with four equivalent Na(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-58°. There are five 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 P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Na(1) and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Na(1), one V(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar 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   6.355
_cell_length_b   6.355
_cell_length_c   10.537
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   425.576
_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  0.508  0.508  0.754  1.0
  Na  Na1  1  0.992  0.508  0.254  1.0
  Na  Na2  1  0.008  0.008  0.746  1.0
  Na  Na3  1  0.492  0.008  0.246  1.0
  V  V4  1  0.749  0.753  0.528  1.0
  V  V5  1  0.751  0.753  0.028  1.0
  V  V6  1  0.249  0.253  0.972  1.0
  V  V7  1  0.251  0.253  0.472  1.0
  P  P8  1  0.250  0.752  1.000  1.0
  P  P9  1  0.250  0.752  0.500  1.0
  P  P10  1  0.750  0.252  0.000  1.0
  P  P11  1  0.750  0.252  0.500  1.0
  O  O12  1  0.245  0.950  0.913  1.0
  O  O13  1  0.255  0.950  0.413  1.0
  O  O14  1  0.753  0.754  0.872  1.0
  O  O15  1  0.747  0.754  0.372  1.0
  O  O16  1  0.447  0.747  0.588  1.0
  O  O17  1  0.448  0.756  0.086  1.0
  O  O18  1  0.052  0.756  0.586  1.0
  O  O19  1  0.053  0.747  0.088  1.0
  O  O20  1  0.246  0.555  0.413  1.0
  O  O21  1  0.254  0.555  0.913  1.0
  O  O22  1  0.745  0.450  0.587  1.0
  O  O23  1  0.755  0.450  0.087  1.0
  O  O24  1  0.948  0.256  0.414  1.0
  O  O25  1  0.553  0.247  0.412  1.0
  O  O26  1  0.253  0.254  0.628  1.0
  O  O27  1  0.247  0.254  0.128  1.0
  O  O28  1  0.947  0.247  0.912  1.0
  O  O29  1  0.552  0.256  0.914  1.0
  O  O30  1  0.746  0.055  0.087  1.0
  O  O31  1  0.754  0.055  0.587  1.0
[/CIF]
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