The material structure described by Sm2ScNbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted SmO8 hexagonal bipyramids that share edges with two equivalent Sm(1)O8 hexagonal bipyramids, edges with two equivalent Sc(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(3) 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 Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-58°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) 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 Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent Sm(2) and two equivalent Sc(1) atoms to form OSm2Sc2 tetrahedra that share corners with two equivalent O(4)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Sc2 tetrahedra, corners with eight equivalent O(3)Sm2ScNb tetrahedra,  an edgeedge with one O(4)Sm4 tetrahedra, and edges with four equivalent O(3)Sm2ScNb tetrahedra. In the third O site, O(3) is bonded to one Sm(1), one Sm(2), one Sc(1), and one Nb(1) atom to form distorted OSm2ScNb tetrahedra that share corners with two equivalent O(2)Sm2Sc2 tetrahedra, corners with two equivalent O(4)Sm4 tetrahedra, corners with eight equivalent O(3)Sm2ScNb tetrahedra,  an edgeedge with one O(2)Sm2Sc2 tetrahedra,  an edgeedge with one O(4)Sm4 tetrahedra, and edges with two equivalent O(3)Sm2ScNb tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with two equivalent O(2)Sm2Sc2 tetrahedra, corners with four equivalent O(4)Sm4 tetrahedra, corners with eight equivalent O(3)Sm2ScNb tetrahedra,  an edgeedge with one O(2)Sm2Sc2 tetrahedra, and edges with four equivalent O(3)Sm2ScNb tetrahedra. is represented by the CIF file [CIF]
data_Sm2ScNbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.469
_cell_length_b   7.469
_cell_length_c   7.469
_cell_angle_alpha   120.529
_cell_angle_beta   119.356
_cell_angle_gamma   90.102
_symmetry_Int_Tables_number   1
_cell_volume   294.850
_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
  Sm  Sm0  1  0.000  0.500  0.000  1.0
  Sm  Sm1  1  0.000  0.000  0.500  1.0
  Sm  Sm2  1  0.000  0.500  0.500  1.0
  Sm  Sm3  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  0.820  0.070  0.750  1.0
  O  O9  1  0.403  0.653  0.750  1.0
  O  O10  1  0.842  0.675  0.767  1.0
  O  O11  1  0.408  0.075  0.733  1.0
  O  O12  1  0.842  0.075  0.167  1.0
  O  O13  1  0.408  0.675  0.333  1.0
  O  O14  1  0.180  0.930  0.250  1.0
  O  O15  1  0.597  0.347  0.250  1.0
  O  O16  1  0.158  0.325  0.233  1.0
  O  O17  1  0.592  0.925  0.267  1.0
  O  O18  1  0.158  0.925  0.833  1.0
  O  O19  1  0.592  0.325  0.667  1.0
  O  O20  1  0.878  0.628  0.250  1.0
  O  O21  1  0.122  0.372  0.750  1.0
[/CIF]
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The material structure described by Sm2ScNbO7 crystallizes in the orthorhombic Imma space group. There are two inequivalent Sm sites. In the first Sm site, Sm(1) is bonded to two equivalent O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted SmO8 hexagonal bipyramids that share edges with two equivalent Sm(1)O8 hexagonal bipyramids, edges with two equivalent Sc(1)O6 octahedra, and edges with four equivalent Nb(1)O6 octahedra. In the second Sm site, Sm(2) is bonded in a body-centered cubic geometry to two equivalent O(2), two equivalent O(4), and four equivalent O(3) atoms. Sc(1) is bonded to two equivalent O(2) and four equivalent O(3) 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 Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 51-58°. Nb(1) is bonded to two equivalent O(1) and four equivalent O(3) 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 Sm(1)O8 hexagonal bipyramids. The corner-sharing octahedral tilt angles range from 43-51°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Sm(1) and two equivalent Nb(1) atoms. In the second O site, O(2) is bonded to two equivalent Sm(2) and two equivalent Sc(1) atoms to form OSm2Sc2 tetrahedra that share corners with two equivalent O(4)Sm4 tetrahedra, corners with four equivalent O(2)Sm2Sc2 tetrahedra, corners with eight equivalent O(3)Sm2ScNb tetrahedra,  an edgeedge with one O(4)Sm4 tetrahedra, and edges with four equivalent O(3)Sm2ScNb tetrahedra. In the third O site, O(3) is bonded to one Sm(1), one Sm(2), one Sc(1), and one Nb(1) atom to form distorted OSm2ScNb tetrahedra that share corners with two equivalent O(2)Sm2Sc2 tetrahedra, corners with two equivalent O(4)Sm4 tetrahedra, corners with eight equivalent O(3)Sm2ScNb tetrahedra,  an edgeedge with one O(2)Sm2Sc2 tetrahedra,  an edgeedge with one O(4)Sm4 tetrahedra, and edges with two equivalent O(3)Sm2ScNb tetrahedra. In the fourth O site, O(4) is bonded to two equivalent Sm(1) and two equivalent Sm(2) atoms to form OSm4 tetrahedra that share corners with two equivalent O(2)Sm2Sc2 tetrahedra, corners with four equivalent O(4)Sm4 tetrahedra, corners with eight equivalent O(3)Sm2ScNb tetrahedra,  an edgeedge with one O(2)Sm2Sc2 tetrahedra, and edges with four equivalent O(3)Sm2ScNb tetrahedra. is represented by the CIF file [CIF]
data_Sm2ScNbO7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.469
_cell_length_b   7.469
_cell_length_c   7.469
_cell_angle_alpha   120.529
_cell_angle_beta   119.356
_cell_angle_gamma   90.102
_symmetry_Int_Tables_number   1
_cell_volume   294.850
_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
  Sm  Sm0  1  0.000  0.500  0.000  1.0
  Sm  Sm1  1  0.000  0.000  0.500  1.0
  Sm  Sm2  1  0.000  0.500  0.500  1.0
  Sm  Sm3  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  0.820  0.070  0.750  1.0
  O  O9  1  0.403  0.653  0.750  1.0
  O  O10  1  0.842  0.675  0.767  1.0
  O  O11  1  0.408  0.075  0.733  1.0
  O  O12  1  0.842  0.075  0.167  1.0
  O  O13  1  0.408  0.675  0.333  1.0
  O  O14  1  0.180  0.930  0.250  1.0
  O  O15  1  0.597  0.347  0.250  1.0
  O  O16  1  0.158  0.325  0.233  1.0
  O  O17  1  0.592  0.925  0.267  1.0
  O  O18  1  0.158  0.925  0.833  1.0
  O  O19  1  0.592  0.325  0.667  1.0
  O  O20  1  0.878  0.628  0.250  1.0
  O  O21  1  0.122  0.372  0.750  1.0
[/CIF]
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