The material structure described by VO(PO3)2 crystallizes in the monoclinic C2/c space group. V(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form corner-sharing PO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_VP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.327
_cell_length_b   8.083
_cell_length_c   8.325
_cell_angle_alpha   74.054
_cell_angle_beta   74.935
_cell_angle_gamma   74.473
_symmetry_Int_Tables_number   1
_cell_volume   264.248
_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
  V  V0  1  0.265  0.250  0.750  1.0
  V  V1  1  0.735  0.750  0.250  1.0
  P  P2  1  0.675  0.314  0.344  1.0
  P  P3  1  0.333  0.186  0.156  1.0
  P  P4  1  0.325  0.686  0.656  1.0
  P  P5  1  0.667  0.814  0.844  1.0
  O  O6  1  0.888  0.250  0.750  1.0
  O  O7  1  0.112  0.750  0.250  1.0
  O  O8  1  0.491  0.228  0.511  1.0
  O  O9  1  0.230  0.272  0.989  1.0
  O  O10  1  0.509  0.772  0.489  1.0
  O  O11  1  0.770  0.728  0.011  1.0
  O  O12  1  0.444  0.991  0.823  1.0
  O  O13  1  0.259  0.509  0.677  1.0
  O  O14  1  0.556  0.009  0.177  1.0
  O  O15  1  0.741  0.491  0.323  1.0
  O  O16  1  0.014  0.175  0.306  1.0
  O  O17  1  0.986  0.825  0.694  1.0
  O  O18  1  0.496  0.325  0.194  1.0
  O  O19  1  0.504  0.675  0.806  1.0
[/CIF]
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The material structure described by VO(PO3)2 crystallizes in the monoclinic C2/c space group. V(1) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded to one O(2), one O(3), and two equivalent O(4) atoms to form corner-sharing PO4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one V(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one V(1) and one P(1) atom. In the third O site, O(3) is bonded in a linear geometry to one V(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to two equivalent P(1) atoms. is represented by the CIF card [CIF]
data_VP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.327
_cell_length_b   8.083
_cell_length_c   8.325
_cell_angle_alpha   74.054
_cell_angle_beta   74.935
_cell_angle_gamma   74.473
_symmetry_Int_Tables_number   1
_cell_volume   264.248
_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
  V  V0  1  0.265  0.250  0.750  1.0
  V  V1  1  0.735  0.750  0.250  1.0
  P  P2  1  0.675  0.314  0.344  1.0
  P  P3  1  0.333  0.186  0.156  1.0
  P  P4  1  0.325  0.686  0.656  1.0
  P  P5  1  0.667  0.814  0.844  1.0
  O  O6  1  0.888  0.250  0.750  1.0
  O  O7  1  0.112  0.750  0.250  1.0
  O  O8  1  0.491  0.228  0.511  1.0
  O  O9  1  0.230  0.272  0.989  1.0
  O  O10  1  0.509  0.772  0.489  1.0
  O  O11  1  0.770  0.728  0.011  1.0
  O  O12  1  0.444  0.991  0.823  1.0
  O  O13  1  0.259  0.509  0.677  1.0
  O  O14  1  0.556  0.009  0.177  1.0
  O  O15  1  0.741  0.491  0.323  1.0
  O  O16  1  0.014  0.175  0.306  1.0
  O  O17  1  0.986  0.825  0.694  1.0
  O  O18  1  0.496  0.325  0.194  1.0
  O  O19  1  0.504  0.675  0.806  1.0
[/CIF]
.