The compound described by NaVP2O7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-51°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-54°. There are seven inequivalent O sites. In the first O site, O(5) 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(6) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(2) atom. In the third O site, O(7) 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(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(2) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one P(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.104
_cell_length_b   7.439
_cell_length_c   9.711
_cell_angle_alpha   68.157
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   543.464
_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  0.472  0.787  0.709  1.0
  Na  Na1  1  0.972  0.213  0.791  1.0
  Na  Na2  1  0.528  0.213  0.291  1.0
  Na  Na3  1  0.028  0.787  0.209  1.0
  V  V4  1  0.008  0.760  0.751  1.0
  V  V5  1  0.508  0.240  0.749  1.0
  V  V6  1  0.992  0.240  0.249  1.0
  V  V7  1  0.492  0.760  0.251  1.0
  P  P8  1  0.756  0.427  0.955  1.0
  P  P9  1  0.256  0.573  0.545  1.0
  P  P10  1  0.244  0.573  0.045  1.0
  P  P11  1  0.744  0.427  0.455  1.0
  P  P12  1  0.711  0.827  0.953  1.0
  P  P13  1  0.211  0.173  0.547  1.0
  P  P14  1  0.289  0.173  0.047  1.0
  P  P15  1  0.789  0.827  0.453  1.0
  O  O16  1  0.640  0.313  0.899  1.0
  O  O17  1  0.140  0.687  0.601  1.0
  O  O18  1  0.360  0.687  0.101  1.0
  O  O19  1  0.860  0.313  0.399  1.0
  O  O20  1  0.890  0.866  0.900  1.0
  O  O21  1  0.390  0.134  0.600  1.0
  O  O22  1  0.110  0.134  0.100  1.0
  O  O23  1  0.610  0.866  0.400  1.0
  O  O24  1  0.588  0.966  0.846  1.0
  O  O25  1  0.088  0.034  0.654  1.0
  O  O26  1  0.412  0.034  0.154  1.0
  O  O27  1  0.912  0.966  0.346  1.0
  O  O28  1  0.656  0.624  0.938  1.0
  O  O29  1  0.156  0.376  0.562  1.0
  O  O30  1  0.344  0.376  0.062  1.0
  O  O31  1  0.844  0.624  0.438  1.0
  O  O32  1  0.914  0.488  0.861  1.0
  O  O33  1  0.414  0.512  0.639  1.0
  O  O34  1  0.086  0.512  0.139  1.0
  O  O35  1  0.586  0.488  0.361  1.0
  O  O36  1  0.804  0.807  0.615  1.0
  O  O37  1  0.304  0.193  0.885  1.0
  O  O38  1  0.196  0.193  0.385  1.0
  O  O39  1  0.696  0.807  0.115  1.0
  O  O40  1  0.211  0.680  0.879  1.0
  O  O41  1  0.711  0.320  0.621  1.0
  O  O42  1  0.789  0.320  0.121  1.0
  O  O43  1  0.289  0.680  0.379  1.0
[/CIF]
.
The compound described by NaVP2O7 crystallizes in the monoclinic P2_1/c space group. Na(1) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(7) atom. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form VO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 22-51°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent V(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-54°. There are seven inequivalent O sites. In the first O site, O(5) 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(6) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(2) atom. In the third O site, O(7) 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(1) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the fifth O site, O(2) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(2) atom. In the sixth O site, O(3) is bonded in a 3-coordinate geometry to one Na(1), one V(1), and one P(2) atom. In the seventh O site, O(4) is bonded in a 3-coordinate geometry to one Na(1), one P(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaVP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.104
_cell_length_b   7.439
_cell_length_c   9.711
_cell_angle_alpha   68.157
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   543.464
_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  0.472  0.787  0.709  1.0
  Na  Na1  1  0.972  0.213  0.791  1.0
  Na  Na2  1  0.528  0.213  0.291  1.0
  Na  Na3  1  0.028  0.787  0.209  1.0
  V  V4  1  0.008  0.760  0.751  1.0
  V  V5  1  0.508  0.240  0.749  1.0
  V  V6  1  0.992  0.240  0.249  1.0
  V  V7  1  0.492  0.760  0.251  1.0
  P  P8  1  0.756  0.427  0.955  1.0
  P  P9  1  0.256  0.573  0.545  1.0
  P  P10  1  0.244  0.573  0.045  1.0
  P  P11  1  0.744  0.427  0.455  1.0
  P  P12  1  0.711  0.827  0.953  1.0
  P  P13  1  0.211  0.173  0.547  1.0
  P  P14  1  0.289  0.173  0.047  1.0
  P  P15  1  0.789  0.827  0.453  1.0
  O  O16  1  0.640  0.313  0.899  1.0
  O  O17  1  0.140  0.687  0.601  1.0
  O  O18  1  0.360  0.687  0.101  1.0
  O  O19  1  0.860  0.313  0.399  1.0
  O  O20  1  0.890  0.866  0.900  1.0
  O  O21  1  0.390  0.134  0.600  1.0
  O  O22  1  0.110  0.134  0.100  1.0
  O  O23  1  0.610  0.866  0.400  1.0
  O  O24  1  0.588  0.966  0.846  1.0
  O  O25  1  0.088  0.034  0.654  1.0
  O  O26  1  0.412  0.034  0.154  1.0
  O  O27  1  0.912  0.966  0.346  1.0
  O  O28  1  0.656  0.624  0.938  1.0
  O  O29  1  0.156  0.376  0.562  1.0
  O  O30  1  0.344  0.376  0.062  1.0
  O  O31  1  0.844  0.624  0.438  1.0
  O  O32  1  0.914  0.488  0.861  1.0
  O  O33  1  0.414  0.512  0.639  1.0
  O  O34  1  0.086  0.512  0.139  1.0
  O  O35  1  0.586  0.488  0.361  1.0
  O  O36  1  0.804  0.807  0.615  1.0
  O  O37  1  0.304  0.193  0.885  1.0
  O  O38  1  0.196  0.193  0.385  1.0
  O  O39  1  0.696  0.807  0.115  1.0
  O  O40  1  0.211  0.680  0.879  1.0
  O  O41  1  0.711  0.320  0.621  1.0
  O  O42  1  0.789  0.320  0.121  1.0
  O  O43  1  0.289  0.680  0.379  1.0
[/CIF]
.