The structure described by MgSc2V2O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent Sc(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-67°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sc site, Sc(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ScO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share edges with two equivalent Sc(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with two equivalent Sc(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Sc(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form a mixture of distorted edge and corner-sharing OSc2V2 trigonal pyramids. In the second O site, O(2) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form a mixture of distorted edge and corner-sharing OSc2V2 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Sc(2), and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Sc(2), and one V(2) atom. In the fifth O site, O(5) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form a mixture of distorted edge and corner-sharing OSc2V2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form a mixture of distorted edge and corner-sharing OSc2V2 trigonal pyramids. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one Sc(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one Sc(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.968
_cell_length_b   4.935
_cell_length_c   8.073
_cell_angle_alpha   111.814
_cell_angle_beta   111.803
_cell_angle_gamma   77.219
_symmetry_Int_Tables_number   1
_cell_volume   169.810
_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
  Mg  Mg0  1  0.981  0.230  0.965  1.0
  Sc  Sc1  1  0.661  0.911  0.320  1.0
  Sc  Sc2  1  0.319  0.070  0.640  1.0
  V  V3  1  0.181  0.430  0.359  1.0
  V  V4  1  0.817  0.567  0.636  1.0
  O  O5  1  0.454  0.702  0.422  1.0
  O  O6  1  0.969  0.220  0.422  1.0
  O  O7  1  0.089  0.381  0.803  1.0
  O  O8  1  0.710  0.920  0.804  1.0
  O  O9  1  0.536  0.292  0.559  1.0
  O  O10  1  0.023  0.767  0.560  1.0
  O  O11  1  0.866  0.553  0.172  1.0
  O  O12  1  0.307  0.119  0.171  1.0
[/CIF]
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The structure described by MgSc2V2O8 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form MgO4 tetrahedra that share corners with two equivalent Sc(2)O6 octahedra, corners with two equivalent V(2)O6 octahedra, and  an edgeedge with one V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-67°. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. In the second Sc site, Sc(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted ScO6 octahedra that share corners with two equivalent V(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are two inequivalent V sites. In the first V site, V(1) is bonded to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form VO6 octahedra that share edges with two equivalent Sc(2)O6 octahedra, edges with two equivalent V(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. In the second V site, V(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form distorted VO6 octahedra that share corners with two equivalent Sc(2)O6 octahedra, corners with two equivalent Mg(1)O4 tetrahedra, edges with two equivalent Sc(2)O6 octahedra, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form a mixture of distorted edge and corner-sharing OSc2V2 trigonal pyramids. In the second O site, O(2) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form a mixture of distorted edge and corner-sharing OSc2V2 trigonal pyramids. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Sc(2), and one V(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mg(1), one Sc(2), and one V(2) atom. In the fifth O site, O(5) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form a mixture of distorted edge and corner-sharing OSc2V2 trigonal pyramids. In the sixth O site, O(6) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form a mixture of distorted edge and corner-sharing OSc2V2 trigonal pyramids. In the seventh O site, O(7) is bonded in a T-shaped geometry to one Mg(1), one Sc(1), and one V(1) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Mg(1), one Sc(1), and one V(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.968
_cell_length_b   4.935
_cell_length_c   8.073
_cell_angle_alpha   111.814
_cell_angle_beta   111.803
_cell_angle_gamma   77.219
_symmetry_Int_Tables_number   1
_cell_volume   169.810
_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
  Mg  Mg0  1  0.981  0.230  0.965  1.0
  Sc  Sc1  1  0.661  0.911  0.320  1.0
  Sc  Sc2  1  0.319  0.070  0.640  1.0
  V  V3  1  0.181  0.430  0.359  1.0
  V  V4  1  0.817  0.567  0.636  1.0
  O  O5  1  0.454  0.702  0.422  1.0
  O  O6  1  0.969  0.220  0.422  1.0
  O  O7  1  0.089  0.381  0.803  1.0
  O  O8  1  0.710  0.920  0.804  1.0
  O  O9  1  0.536  0.292  0.559  1.0
  O  O10  1  0.023  0.767  0.560  1.0
  O  O11  1  0.866  0.553  0.172  1.0
  O  O12  1  0.307  0.119  0.171  1.0
[/CIF]
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