The material described by MgSc2V2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted ScO6 octahedra that share corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent V(2)O5 trigonal bipyramids, edges with three equivalent Sc(2)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. In the second Sc site, Sc(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted ScO6 octahedra that share corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent V(2)O5 trigonal bipyramids, edges with three equivalent Sc(1)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)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), one O(4), and one O(5) atom to form VO5 trigonal bipyramids that share corners with two equivalent Sc(1)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one V(2)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-52°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO5 trigonal bipyramids that share corners with two equivalent Sc(1)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom. In the third O site, O(3) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OSc2V2 trigonal pyramids that share  a cornercorner with one O(6)MgSc2V trigonal pyramid,  a cornercorner with one O(7)MgSc2V trigonal pyramid, edges with two equivalent O(4)MgSc2V2 trigonal bipyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and  an edgeedge with one O(7)MgSc2V trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OMgSc2V2 trigonal bipyramids that share corners with two equivalent O(6)MgSc2V trigonal pyramids, corners with two equivalent O(7)MgSc2V trigonal pyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid,  an edgeedge with one O(7)MgSc2V trigonal pyramid, and edges with two equivalent O(3)Sc2V2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom to form OMgSc2V trigonal pyramids that share corners with two equivalent O(4)MgSc2V2 trigonal bipyramids,  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with two equivalent O(7)MgSc2V trigonal pyramids,  an edgeedge with one O(4)MgSc2V2 trigonal bipyramid,  an edgeedge with one O(7)MgSc2V trigonal pyramid, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom to form OMgSc2V trigonal pyramids that share corners with two equivalent O(4)MgSc2V2 trigonal bipyramids,  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with two equivalent O(6)MgSc2V trigonal pyramids,  an edgeedge with one O(4)MgSc2V2 trigonal bipyramid,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgSc2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.588
_cell_length_b   5.579
_cell_length_c   5.518
_cell_angle_alpha   85.385
_cell_angle_beta   93.267
_cell_angle_gamma   69.578
_symmetry_Int_Tables_number   1
_cell_volume   160.042
_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  0.919  0.077  0.605  1.0
  Sc  Sc1  1  0.312  0.329  0.498  1.0
  Sc  Sc2  1  0.670  0.690  0.495  1.0
  V  V3  1  0.275  0.720  0.900  1.0
  V  V4  1  0.742  0.268  0.099  1.0
  O  O5  1  0.040  0.645  0.668  1.0
  O  O6  1  0.355  0.955  0.666  1.0
  O  O7  1  0.437  0.569  0.232  1.0
  O  O8  1  0.575  0.420  0.750  1.0
  O  O9  1  0.985  0.012  0.967  1.0
  O  O10  1  0.645  0.055  0.360  1.0
  O  O11  1  0.951  0.354  0.360  1.0
[/CIF]
.
The material described by MgSc2V2O7 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted ScO6 octahedra that share corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent V(2)O5 trigonal bipyramids, edges with three equivalent Sc(2)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)O5 trigonal bipyramid. In the second Sc site, Sc(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted ScO6 octahedra that share corners with two equivalent V(1)O5 trigonal bipyramids, corners with two equivalent V(2)O5 trigonal bipyramids, edges with three equivalent Sc(1)O6 octahedra,  an edgeedge with one V(1)O5 trigonal bipyramid, and  an edgeedge with one V(2)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), one O(4), and one O(5) atom to form VO5 trigonal bipyramids that share corners with two equivalent Sc(1)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one V(2)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one V(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 25-52°. In the second V site, V(2) is bonded to one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form VO5 trigonal bipyramids that share corners with two equivalent Sc(1)O6 octahedra, corners with two equivalent Sc(2)O6 octahedra,  a cornercorner with one V(1)O5 trigonal bipyramid,  an edgeedge with one Sc(1)O6 octahedra,  an edgeedge with one Sc(2)O6 octahedra, and  an edgeedge with one V(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-52°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom. In the third O site, O(3) is bonded to one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OSc2V2 trigonal pyramids that share  a cornercorner with one O(6)MgSc2V trigonal pyramid,  a cornercorner with one O(7)MgSc2V trigonal pyramid, edges with two equivalent O(4)MgSc2V2 trigonal bipyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and  an edgeedge with one O(7)MgSc2V trigonal pyramid. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Sc(2), one V(1), and one V(2) atom to form OMgSc2V2 trigonal bipyramids that share corners with two equivalent O(6)MgSc2V trigonal pyramids, corners with two equivalent O(7)MgSc2V trigonal pyramids,  an edgeedge with one O(6)MgSc2V trigonal pyramid,  an edgeedge with one O(7)MgSc2V trigonal pyramid, and edges with two equivalent O(3)Sc2V2 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one V(1), and one V(2) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom to form OMgSc2V trigonal pyramids that share corners with two equivalent O(4)MgSc2V2 trigonal bipyramids,  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with two equivalent O(7)MgSc2V trigonal pyramids,  an edgeedge with one O(4)MgSc2V2 trigonal bipyramid,  an edgeedge with one O(7)MgSc2V trigonal pyramid, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid. In the seventh O site, O(7) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(2) atom to form OMgSc2V trigonal pyramids that share corners with two equivalent O(4)MgSc2V2 trigonal bipyramids,  a cornercorner with one O(3)Sc2V2 trigonal pyramid, corners with two equivalent O(6)MgSc2V trigonal pyramids,  an edgeedge with one O(4)MgSc2V2 trigonal bipyramid,  an edgeedge with one O(6)MgSc2V trigonal pyramid, and  an edgeedge with one O(3)Sc2V2 trigonal pyramid. is represented by the CIF card [CIF]
data_MgSc2V2O7
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.588
_cell_length_b   5.579
_cell_length_c   5.518
_cell_angle_alpha   85.385
_cell_angle_beta   93.267
_cell_angle_gamma   69.578
_symmetry_Int_Tables_number   1
_cell_volume   160.042
_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  0.919  0.077  0.605  1.0
  Sc  Sc1  1  0.312  0.329  0.498  1.0
  Sc  Sc2  1  0.670  0.690  0.495  1.0
  V  V3  1  0.275  0.720  0.900  1.0
  V  V4  1  0.742  0.268  0.099  1.0
  O  O5  1  0.040  0.645  0.668  1.0
  O  O6  1  0.355  0.955  0.666  1.0
  O  O7  1  0.437  0.569  0.232  1.0
  O  O8  1  0.575  0.420  0.750  1.0
  O  O9  1  0.985  0.012  0.967  1.0
  O  O10  1  0.645  0.055  0.360  1.0
  O  O11  1  0.951  0.354  0.360  1.0
[/CIF]
.