The compound described by Gd2V2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(7) atoms. In the second Gd site, Gd(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted GdO7 pentagonal bipyramids that share corners with four equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Gd(2)O7 pentagonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form distorted VO5 trigonal bipyramids that share corners with three equivalent Gd(2)O7 pentagonal bipyramids,  a cornercorner with one V(2)O4 tetrahedra,  an edgeedge with one Gd(2)O7 pentagonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with four equivalent Gd(2)O7 pentagonal bipyramids and  a cornercorner with one V(1)O5 trigonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Gd(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Gd(1), one Gd(2), and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Gd(1), one Gd(2), and one V(1) atom. In the fourth O site, O(4) is bonded to one Gd(2), two equivalent Gd(1), and one V(2) atom to form distorted edge-sharing OGd3V tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Gd(2) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Gd(1) and one V(2) atom. is represented by the CIF file [CIF]
data_Gd2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.847
_cell_length_b   7.048
_cell_length_c   7.043
_cell_angle_alpha   85.070
_cell_angle_beta   62.925
_cell_angle_gamma   83.619
_symmetry_Int_Tables_number   1
_cell_volume   300.515
_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
  Gd  Gd0  1  0.271  0.572  0.264  1.0
  Gd  Gd1  1  0.254  0.153  0.674  1.0
  Gd  Gd2  1  0.746  0.847  0.326  1.0
  Gd  Gd3  1  0.729  0.428  0.736  1.0
  V  V4  1  0.274  0.066  0.155  1.0
  V  V5  1  0.196  0.665  0.778  1.0
  V  V6  1  0.804  0.335  0.222  1.0
  V  V7  1  0.726  0.934  0.845  1.0
  O  O8  1  0.051  0.192  0.059  1.0
  O  O9  1  0.102  0.859  0.259  1.0
  O  O10  1  0.258  0.234  0.329  1.0
  O  O11  1  0.128  0.486  0.642  1.0
  O  O12  1  0.527  0.887  0.139  1.0
  O  O13  1  0.366  0.832  0.576  1.0
  O  O14  1  0.644  0.461  0.098  1.0
  O  O15  1  0.356  0.539  0.902  1.0
  O  O16  1  0.634  0.168  0.424  1.0
  O  O17  1  0.473  0.113  0.861  1.0
  O  O18  1  0.872  0.514  0.358  1.0
  O  O19  1  0.742  0.766  0.671  1.0
  O  O20  1  0.898  0.141  0.741  1.0
  O  O21  1  0.949  0.808  0.941  1.0
[/CIF]
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The compound described by Gd2V2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded in a 7-coordinate geometry to one O(2), one O(3), one O(5), two equivalent O(4), and two equivalent O(7) atoms. In the second Gd site, Gd(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and two equivalent O(6) atoms to form distorted GdO7 pentagonal bipyramids that share corners with four equivalent V(2)O4 tetrahedra, corners with three equivalent V(1)O5 trigonal bipyramids,  an edgeedge with one Gd(2)O7 pentagonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(3), and two equivalent O(5) atoms to form distorted VO5 trigonal bipyramids that share corners with three equivalent Gd(2)O7 pentagonal bipyramids,  a cornercorner with one V(2)O4 tetrahedra,  an edgeedge with one Gd(2)O7 pentagonal bipyramid, and  an edgeedge with one V(1)O5 trigonal bipyramid. In the second V site, V(2) is bonded to one O(1), one O(4), one O(6), and one O(7) atom to form VO4 tetrahedra that share corners with four equivalent Gd(2)O7 pentagonal bipyramids and  a cornercorner with one V(1)O5 trigonal bipyramid. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Gd(2), one V(1), and one V(2) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Gd(1), one Gd(2), and one V(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Gd(1), one Gd(2), and one V(1) atom. In the fourth O site, O(4) is bonded to one Gd(2), two equivalent Gd(1), and one V(2) atom to form distorted edge-sharing OGd3V tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Gd(1), one Gd(2), and two equivalent V(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to two equivalent Gd(2) and one V(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Gd(1) and one V(2) atom. is represented by the CIF file [CIF]
data_Gd2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.847
_cell_length_b   7.048
_cell_length_c   7.043
_cell_angle_alpha   85.070
_cell_angle_beta   62.925
_cell_angle_gamma   83.619
_symmetry_Int_Tables_number   1
_cell_volume   300.515
_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
  Gd  Gd0  1  0.271  0.572  0.264  1.0
  Gd  Gd1  1  0.254  0.153  0.674  1.0
  Gd  Gd2  1  0.746  0.847  0.326  1.0
  Gd  Gd3  1  0.729  0.428  0.736  1.0
  V  V4  1  0.274  0.066  0.155  1.0
  V  V5  1  0.196  0.665  0.778  1.0
  V  V6  1  0.804  0.335  0.222  1.0
  V  V7  1  0.726  0.934  0.845  1.0
  O  O8  1  0.051  0.192  0.059  1.0
  O  O9  1  0.102  0.859  0.259  1.0
  O  O10  1  0.258  0.234  0.329  1.0
  O  O11  1  0.128  0.486  0.642  1.0
  O  O12  1  0.527  0.887  0.139  1.0
  O  O13  1  0.366  0.832  0.576  1.0
  O  O14  1  0.644  0.461  0.098  1.0
  O  O15  1  0.356  0.539  0.902  1.0
  O  O16  1  0.634  0.168  0.424  1.0
  O  O17  1  0.473  0.113  0.861  1.0
  O  O18  1  0.872  0.514  0.358  1.0
  O  O19  1  0.742  0.766  0.671  1.0
  O  O20  1  0.898  0.141  0.741  1.0
  O  O21  1  0.949  0.808  0.941  1.0
[/CIF]
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