The crystal structure described by MgSc2V2O8 is Esseneite-like structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent V(2)O4 tetrahedra and  an edgeedge with one V(1)O4 trigonal pyramid. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted VO4 trigonal pyramids that share  an edgeedge with one Mg(1)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sc(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Sc(1), one Sc(2), and one V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Sc(2), and one V(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom to form a mixture of distorted edge and corner-sharing OMgSc2V trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.874
_cell_length_b   5.874
_cell_length_c   6.147
_cell_angle_alpha   107.595
_cell_angle_beta   107.595
_cell_angle_gamma   114.420
_symmetry_Int_Tables_number   1
_cell_volume   160.274
_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  0.864  0.136  0.250  1.0
  Sc  Sc1  1  0.848  0.152  0.750  1.0
  Sc  Sc2  1  0.166  0.834  0.250  1.0
  V  V3  1  0.585  0.415  0.250  1.0
  V  V4  1  0.388  0.612  0.750  1.0
  O  O5  1  0.800  0.784  0.473  1.0
  O  O6  1  0.395  0.824  0.582  1.0
  O  O7  1  0.754  0.776  0.990  1.0
  O  O8  1  0.824  0.375  0.097  1.0
  O  O9  1  0.625  0.176  0.403  1.0
  O  O10  1  0.224  0.246  0.510  1.0
  O  O11  1  0.176  0.605  0.918  1.0
  O  O12  1  0.216  0.200  0.027  1.0
[/CIF]
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The crystal structure described by MgSc2V2O8 is Esseneite-like structured and crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form distorted MgO4 tetrahedra that share corners with two equivalent V(2)O4 tetrahedra and  an edgeedge with one V(1)O4 trigonal pyramid. There are two inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. In the second Sc site, Sc(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded to two equivalent O(1) and two equivalent O(4) atoms to form distorted VO4 trigonal pyramids that share  an edgeedge with one Mg(1)O4 tetrahedra. In the second V site, V(2) is bonded to two equivalent O(2) and two equivalent O(3) atoms to form VO4 tetrahedra that share corners with two equivalent Mg(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Sc(1) and one V(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Sc(1), one Sc(2), and one V(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Sc(2), and one V(2) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Sc(1), one Sc(2), and one V(1) atom to form a mixture of distorted edge and corner-sharing OMgSc2V trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc2V2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.874
_cell_length_b   5.874
_cell_length_c   6.147
_cell_angle_alpha   107.595
_cell_angle_beta   107.595
_cell_angle_gamma   114.420
_symmetry_Int_Tables_number   1
_cell_volume   160.274
_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  0.864  0.136  0.250  1.0
  Sc  Sc1  1  0.848  0.152  0.750  1.0
  Sc  Sc2  1  0.166  0.834  0.250  1.0
  V  V3  1  0.585  0.415  0.250  1.0
  V  V4  1  0.388  0.612  0.750  1.0
  O  O5  1  0.800  0.784  0.473  1.0
  O  O6  1  0.395  0.824  0.582  1.0
  O  O7  1  0.754  0.776  0.990  1.0
  O  O8  1  0.824  0.375  0.097  1.0
  O  O9  1  0.625  0.176  0.403  1.0
  O  O10  1  0.224  0.246  0.510  1.0
  O  O11  1  0.176  0.605  0.918  1.0
  O  O12  1  0.216  0.200  0.027  1.0
[/CIF]
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