The material described by NaV2(PO7)2 crystallizes in the triclinic P1 space group. Na(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(13), one O(14), and one O(4) atom to form distorted NaO7 pentagonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Na(1)O7 pentagonal bipyramids. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(3), one O(5), one O(7), and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Na(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) 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 bent 120 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Na(1), one V(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one O(13) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one V(2), and one O(14) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Na(1) and one O(11) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Na(1) and one O(12) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV2(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.274
_cell_length_b   6.293
_cell_length_c   7.167
_cell_angle_alpha   100.529
_cell_angle_beta   93.298
_cell_angle_gamma   90.091
_symmetry_Int_Tables_number   1
_cell_volume   277.712
_cell_formula_units_Z   1
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  0.749  0.107  0.656  1.0
  V  V1  1  0.413  0.109  0.120  1.0
  V  V2  1  0.914  0.634  0.249  1.0
  P  P3  1  0.910  0.119  0.172  1.0
  P  P4  1  0.407  0.625  0.167  1.0
  O  O5  1  0.451  0.152  0.350  1.0
  O  O6  1  0.903  0.583  0.022  1.0
  O  O7  1  0.392  0.398  0.047  1.0
  O  O8  1  0.712  0.101  0.030  1.0
  O  O9  1  0.410  0.790  0.034  1.0
  O  O10  1  0.103  0.081  0.050  1.0
  O  O11  1  0.216  0.667  0.303  1.0
  O  O12  1  0.616  0.649  0.301  1.0
  O  O13  1  0.922  0.348  0.305  1.0
  O  O14  1  0.901  0.956  0.313  1.0
  O  O15  1  0.334  0.103  0.709  1.0
  O  O16  1  0.868  0.707  0.636  1.0
  O  O17  1  0.192  0.231  0.685  1.0
  O  O18  1  0.746  0.567  0.671  1.0
[/CIF]
.
The material described by NaV2(PO7)2 crystallizes in the triclinic P1 space group. Na(1) is bonded to one O(1), one O(10), one O(11), one O(12), one O(13), one O(14), and one O(4) atom to form distorted NaO7 pentagonal bipyramids that share corners with two equivalent P(1)O4 tetrahedra. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. In the second V site, V(2) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(2), one O(7), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(4), one O(6), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Na(1)O7 pentagonal bipyramids. In the second P site, P(2) is bonded in a tetrahedral geometry to one O(3), one O(5), one O(7), and one O(8) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one Na(1) and one V(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one V(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(2) 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 bent 120 degrees geometry to one V(1) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one V(1) and one P(1) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one V(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one V(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Na(1), one V(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one O(13) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Na(1), one V(2), and one O(14) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one Na(1) and one O(11) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Na(1) and one O(12) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_NaV2(PO7)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.274
_cell_length_b   6.293
_cell_length_c   7.167
_cell_angle_alpha   100.529
_cell_angle_beta   93.298
_cell_angle_gamma   90.091
_symmetry_Int_Tables_number   1
_cell_volume   277.712
_cell_formula_units_Z   1
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  0.749  0.107  0.656  1.0
  V  V1  1  0.413  0.109  0.120  1.0
  V  V2  1  0.914  0.634  0.249  1.0
  P  P3  1  0.910  0.119  0.172  1.0
  P  P4  1  0.407  0.625  0.167  1.0
  O  O5  1  0.451  0.152  0.350  1.0
  O  O6  1  0.903  0.583  0.022  1.0
  O  O7  1  0.392  0.398  0.047  1.0
  O  O8  1  0.712  0.101  0.030  1.0
  O  O9  1  0.410  0.790  0.034  1.0
  O  O10  1  0.103  0.081  0.050  1.0
  O  O11  1  0.216  0.667  0.303  1.0
  O  O12  1  0.616  0.649  0.301  1.0
  O  O13  1  0.922  0.348  0.305  1.0
  O  O14  1  0.901  0.956  0.313  1.0
  O  O15  1  0.334  0.103  0.709  1.0
  O  O16  1  0.868  0.707  0.636  1.0
  O  O17  1  0.192  0.231  0.685  1.0
  O  O18  1  0.746  0.567  0.671  1.0
[/CIF]
.