The crystal structure described by VZnP2O7 crystallizes in the triclinic P-1 space group. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-53°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(1), and one P(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 distorted trigonal planar geometry to one V(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.570
_cell_length_b   6.567
_cell_length_c   7.422
_cell_angle_alpha   81.015
_cell_angle_beta   85.183
_cell_angle_gamma   72.067
_symmetry_Int_Tables_number   1
_cell_volume   254.942
_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
  O  O0  1  0.106  0.685  0.900  1.0
  O  O1  1  0.894  0.315  0.100  1.0
  O  O2  1  0.320  0.860  0.099  1.0
  O  O3  1  0.680  0.140  0.901  1.0
  O  O4  1  0.358  0.459  0.173  1.0
  O  O5  1  0.642  0.541  0.827  1.0
  O  O6  1  0.610  0.651  0.428  1.0
  O  O7  1  0.390  0.349  0.572  1.0
  O  O8  1  0.056  0.216  0.451  1.0
  O  O9  1  0.944  0.784  0.549  1.0
  O  O10  1  0.063  0.271  0.789  1.0
  O  O11  1  0.937  0.729  0.211  1.0
  O  O12  1  0.621  0.041  0.330  1.0
  O  O13  1  0.379  0.959  0.670  1.0
  P  P14  1  0.198  0.685  0.091  1.0
  P  P15  1  0.802  0.315  0.909  1.0
  P  P16  1  0.225  0.196  0.611  1.0
  P  P17  1  0.775  0.804  0.389  1.0
  V  V18  1  0.273  0.160  0.188  1.0
  V  V19  1  0.727  0.840  0.812  1.0
  Zn  Zn20  1  0.327  0.652  0.652  1.0
  Zn  Zn21  1  0.673  0.348  0.348  1.0
[/CIF]
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The crystal structure described by VZnP2O7 crystallizes in the triclinic P-1 space group. V(1) is bonded to one O(1), one O(2), one O(3), one O(5), and one O(7) atom to form distorted VO5 trigonal bipyramids that share corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra, and edges with two equivalent Zn(1)O6 octahedra. Zn(1) is bonded to one O(1), one O(3), one O(5), one O(7), and two equivalent O(4) atoms to form ZnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  an edgeedge with one Zn(1)O6 octahedra, and edges with two equivalent V(1)O5 trigonal bipyramids. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with three equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 47-53°. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with four equivalent Zn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent V(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 34-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one V(1), one Zn(1), and one P(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 distorted trigonal planar geometry to one V(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Zn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one V(1), one Zn(1), and one P(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_VZnP2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.570
_cell_length_b   6.567
_cell_length_c   7.422
_cell_angle_alpha   81.015
_cell_angle_beta   85.183
_cell_angle_gamma   72.067
_symmetry_Int_Tables_number   1
_cell_volume   254.942
_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
  O  O0  1  0.106  0.685  0.900  1.0
  O  O1  1  0.894  0.315  0.100  1.0
  O  O2  1  0.320  0.860  0.099  1.0
  O  O3  1  0.680  0.140  0.901  1.0
  O  O4  1  0.358  0.459  0.173  1.0
  O  O5  1  0.642  0.541  0.827  1.0
  O  O6  1  0.610  0.651  0.428  1.0
  O  O7  1  0.390  0.349  0.572  1.0
  O  O8  1  0.056  0.216  0.451  1.0
  O  O9  1  0.944  0.784  0.549  1.0
  O  O10  1  0.063  0.271  0.789  1.0
  O  O11  1  0.937  0.729  0.211  1.0
  O  O12  1  0.621  0.041  0.330  1.0
  O  O13  1  0.379  0.959  0.670  1.0
  P  P14  1  0.198  0.685  0.091  1.0
  P  P15  1  0.802  0.315  0.909  1.0
  P  P16  1  0.225  0.196  0.611  1.0
  P  P17  1  0.775  0.804  0.389  1.0
  V  V18  1  0.273  0.160  0.188  1.0
  V  V19  1  0.727  0.840  0.812  1.0
  Zn  Zn20  1  0.327  0.652  0.652  1.0
  Zn  Zn21  1  0.673  0.348  0.348  1.0
[/CIF]
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