The material structure described by V2Si2O7 crystallizes in the monoclinic C2/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted VO6 pentagonal pyramids that share corners with six equivalent Si(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 pentagonal pyramids. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form distorted VO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 pentagonal pyramid. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(1)O6 pentagonal pyramids, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-64°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.698
_cell_length_b   5.274
_cell_length_c   5.276
_cell_angle_alpha   74.053
_cell_angle_beta   82.973
_cell_angle_gamma   97.067
_symmetry_Int_Tables_number   1
_cell_volume   123.059
_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
  O  O0  1  0.500  1.000  0.000  1.0
  O  O1  1  0.725  0.397  0.603  1.0
  O  O2  1  0.274  0.603  0.397  1.0
  O  O3  1  0.211  0.078  0.598  1.0
  O  O4  1  0.211  0.402  0.922  1.0
  O  O5  1  0.789  0.598  0.078  1.0
  O  O6  1  0.789  0.922  0.402  1.0
  Si  Si7  1  0.406  0.229  0.771  1.0
  Si  Si8  1  0.594  0.770  0.229  1.0
  V  V9  1  0.000  0.686  0.686  1.0
  V  V10  1  1.000  0.314  0.314  1.0
[/CIF]
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The material structure described by V2Si2O7 crystallizes in the monoclinic C2/c space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form distorted VO6 pentagonal pyramids that share corners with six equivalent Si(1)O4 tetrahedra,  an edgeedge with one V(2)O6 octahedra, and edges with two equivalent V(1)O6 pentagonal pyramids. In the second V site, V(2) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form distorted VO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 pentagonal pyramid. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with three equivalent V(2)O6 octahedra, corners with three equivalent V(1)O6 pentagonal pyramids, and  a cornercorner with one Si(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 49-64°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to two equivalent Si(1) atoms. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one V(1), one V(2), and one Si(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent V(1) and one Si(1) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent V(2) and one Si(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Si2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.698
_cell_length_b   5.274
_cell_length_c   5.276
_cell_angle_alpha   74.053
_cell_angle_beta   82.973
_cell_angle_gamma   97.067
_symmetry_Int_Tables_number   1
_cell_volume   123.059
_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
  O  O0  1  0.500  1.000  0.000  1.0
  O  O1  1  0.725  0.397  0.603  1.0
  O  O2  1  0.274  0.603  0.397  1.0
  O  O3  1  0.211  0.078  0.598  1.0
  O  O4  1  0.211  0.402  0.922  1.0
  O  O5  1  0.789  0.598  0.078  1.0
  O  O6  1  0.789  0.922  0.402  1.0
  Si  Si7  1  0.406  0.229  0.771  1.0
  Si  Si8  1  0.594  0.770  0.229  1.0
  V  V9  1  0.000  0.686  0.686  1.0
  V  V10  1  1.000  0.314  0.314  1.0
[/CIF]
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