The material described by Gd2ScNbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms to form distorted GdO8 hexagonal bipyramids that share edges with two equivalent Gd(1)O8 hexagonal bipyramids, edges with two equivalent Sc(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. In the second Gd site, Gd(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. Sc(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form ScO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and edges with two equivalent Gd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-58°. Nb(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, and edges with four equivalent Gd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(3)Gd2Sc2 tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra, corners with eight equivalent O(4)Gd2ScNb tetrahedra,  an edgeedge with one O(3)Gd2Sc2 tetrahedra, and edges with four equivalent O(4)Gd2ScNb tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Gd(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded to two equivalent Gd(2) and two equivalent Sc(1) atoms to form OGd2Sc2 tetrahedra that share corners with two equivalent O(1)Gd4 tetrahedra, corners with four equivalent O(3)Gd2Sc2 tetrahedra, corners with eight equivalent O(4)Gd2ScNb tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra, and edges with four equivalent O(4)Gd2ScNb tetrahedra. In the fourth O site, O(4) is bonded to one Gd(1), one Gd(2), one Sc(1), and one Nb(1) atom to form distorted OGd2ScNb tetrahedra that share corners with two equivalent O(3)Gd2Sc2 tetrahedra, corners with two equivalent O(1)Gd4 tetrahedra, corners with eight equivalent O(4)Gd2ScNb tetrahedra,  an edgeedge with one O(3)Gd2Sc2 tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra, and edges with two equivalent O(4)Gd2ScNb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2ScNbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.432
_cell_length_b   7.432
_cell_length_c   7.432
_cell_angle_alpha   120.573
_cell_angle_beta   119.403
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   290.318
_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  0.000  0.500  0.000  1.0
  Gd  Gd1  1  0.000  0.000  0.500  1.0
  Gd  Gd2  1  0.000  0.500  0.500  1.0
  Gd  Gd3  1  0.500  0.500  0.000  1.0
  Sc  Sc4  1  0.500  0.000  0.000  1.0
  Sc  Sc5  1  0.500  0.500  0.500  1.0
  Nb  Nb6  1  0.500  0.000  0.500  1.0
  Nb  Nb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.879  0.629  0.250  1.0
  O  O9  1  0.121  0.371  0.750  1.0
  O  O10  1  0.823  0.073  0.750  1.0
  O  O11  1  0.402  0.652  0.750  1.0
  O  O12  1  0.842  0.673  0.765  1.0
  O  O13  1  0.408  0.076  0.735  1.0
  O  O14  1  0.842  0.076  0.169  1.0
  O  O15  1  0.408  0.673  0.331  1.0
  O  O16  1  0.177  0.927  0.250  1.0
  O  O17  1  0.598  0.348  0.250  1.0
  O  O18  1  0.158  0.327  0.235  1.0
  O  O19  1  0.592  0.924  0.265  1.0
  O  O20  1  0.158  0.924  0.831  1.0
  O  O21  1  0.592  0.327  0.669  1.0
[/CIF]
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The material described by Gd2ScNbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Gd sites. In the first Gd site, Gd(1) is bonded to two equivalent O(1), two equivalent O(2), and four equivalent O(4) atoms to form distorted GdO8 hexagonal bipyramids that share edges with two equivalent Gd(1)O8 hexagonal bipyramids, edges with two equivalent Sc(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. In the second Gd site, Gd(2) is bonded in a body-centered cubic geometry to two equivalent O(1), two equivalent O(3), and four equivalent O(4) atoms. Sc(1) is bonded to two equivalent O(3) and four equivalent O(4) atoms to form ScO6 octahedra that share corners with two equivalent Sc(1)O6 octahedra, corners with four equivalent Nb(1)O6 octahedra, and edges with two equivalent Gd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-58°. Nb(1) is bonded to two equivalent O(2) and four equivalent O(4) atoms to form NbO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, and edges with four equivalent Gd(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 45-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Gd(1) and two equivalent Gd(2) atoms to form OGd4 tetrahedra that share corners with two equivalent O(3)Gd2Sc2 tetrahedra, corners with four equivalent O(1)Gd4 tetrahedra, corners with eight equivalent O(4)Gd2ScNb tetrahedra,  an edgeedge with one O(3)Gd2Sc2 tetrahedra, and edges with four equivalent O(4)Gd2ScNb tetrahedra. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Gd(1) and two equivalent Nb(1) atoms. In the third O site, O(3) is bonded to two equivalent Gd(2) and two equivalent Sc(1) atoms to form OGd2Sc2 tetrahedra that share corners with two equivalent O(1)Gd4 tetrahedra, corners with four equivalent O(3)Gd2Sc2 tetrahedra, corners with eight equivalent O(4)Gd2ScNb tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra, and edges with four equivalent O(4)Gd2ScNb tetrahedra. In the fourth O site, O(4) is bonded to one Gd(1), one Gd(2), one Sc(1), and one Nb(1) atom to form distorted OGd2ScNb tetrahedra that share corners with two equivalent O(3)Gd2Sc2 tetrahedra, corners with two equivalent O(1)Gd4 tetrahedra, corners with eight equivalent O(4)Gd2ScNb tetrahedra,  an edgeedge with one O(3)Gd2Sc2 tetrahedra,  an edgeedge with one O(1)Gd4 tetrahedra, and edges with two equivalent O(4)Gd2ScNb tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Gd2ScNbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.432
_cell_length_b   7.432
_cell_length_c   7.432
_cell_angle_alpha   120.573
_cell_angle_beta   119.403
_cell_angle_gamma   90.024
_symmetry_Int_Tables_number   1
_cell_volume   290.318
_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  0.000  0.500  0.000  1.0
  Gd  Gd1  1  0.000  0.000  0.500  1.0
  Gd  Gd2  1  0.000  0.500  0.500  1.0
  Gd  Gd3  1  0.500  0.500  0.000  1.0
  Sc  Sc4  1  0.500  0.000  0.000  1.0
  Sc  Sc5  1  0.500  0.500  0.500  1.0
  Nb  Nb6  1  0.500  0.000  0.500  1.0
  Nb  Nb7  1  0.000  0.000  0.000  1.0
  O  O8  1  0.879  0.629  0.250  1.0
  O  O9  1  0.121  0.371  0.750  1.0
  O  O10  1  0.823  0.073  0.750  1.0
  O  O11  1  0.402  0.652  0.750  1.0
  O  O12  1  0.842  0.673  0.765  1.0
  O  O13  1  0.408  0.076  0.735  1.0
  O  O14  1  0.842  0.076  0.169  1.0
  O  O15  1  0.408  0.673  0.331  1.0
  O  O16  1  0.177  0.927  0.250  1.0
  O  O17  1  0.598  0.348  0.250  1.0
  O  O18  1  0.158  0.327  0.235  1.0
  O  O19  1  0.592  0.924  0.265  1.0
  O  O20  1  0.158  0.924  0.831  1.0
  O  O21  1  0.592  0.327  0.669  1.0
[/CIF]
.