The compound described by MgSc2Cr2O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Cr(1)O4 tetrahedra and edges with two equivalent Cr(1)O4 tetrahedra. Sc(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Sc(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sc(1) and one Cr(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Sc(1), and one Cr(1) atom to form corner-sharing OMgSc2Cr trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Sc(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc2Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   5.717
_cell_length_c   6.086
_cell_angle_alpha   103.774
_cell_angle_beta   114.352
_cell_angle_gamma   112.797
_symmetry_Int_Tables_number   1
_cell_volume   156.610
_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  0.747  1.000  0.247  1.0
  Sc  Sc1  1  0.832  0.113  0.798  1.0
  Sc  Sc2  1  0.185  0.887  0.218  1.0
  Cr  Cr3  1  0.618  0.419  0.256  1.0
  Cr  Cr4  1  0.337  0.581  0.699  1.0
  O  O5  1  0.807  0.343  0.109  1.0
  O  O6  1  0.234  0.174  0.048  1.0
  O  O7  1  0.654  0.215  0.458  1.0
  O  O8  1  0.772  0.781  0.464  1.0
  O  O9  1  0.183  0.219  0.491  1.0
  O  O10  1  0.373  0.826  0.560  1.0
  O  O11  1  0.743  0.785  0.939  1.0
  O  O12  1  0.266  0.657  0.964  1.0
[/CIF]
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The compound described by MgSc2Cr2O8 crystallizes in the monoclinic C2 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted MgO6 octahedra that share corners with two equivalent Cr(1)O4 tetrahedra and edges with two equivalent Cr(1)O4 tetrahedra. Sc(1) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Cr(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form CrO4 tetrahedra that share  a cornercorner with one Mg(1)O6 octahedra and  an edgeedge with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Sc(1), and one Cr(1) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Sc(1) and one Cr(1) atom. In the third O site, O(3) is bonded to one Mg(1), two equivalent Sc(1), and one Cr(1) atom to form corner-sharing OMgSc2Cr trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Sc(1), and one Cr(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgSc2Cr2O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.086
_cell_length_b   5.717
_cell_length_c   6.086
_cell_angle_alpha   103.774
_cell_angle_beta   114.352
_cell_angle_gamma   112.797
_symmetry_Int_Tables_number   1
_cell_volume   156.610
_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  0.747  1.000  0.247  1.0
  Sc  Sc1  1  0.832  0.113  0.798  1.0
  Sc  Sc2  1  0.185  0.887  0.218  1.0
  Cr  Cr3  1  0.618  0.419  0.256  1.0
  Cr  Cr4  1  0.337  0.581  0.699  1.0
  O  O5  1  0.807  0.343  0.109  1.0
  O  O6  1  0.234  0.174  0.048  1.0
  O  O7  1  0.654  0.215  0.458  1.0
  O  O8  1  0.772  0.781  0.464  1.0
  O  O9  1  0.183  0.219  0.491  1.0
  O  O10  1  0.373  0.826  0.560  1.0
  O  O11  1  0.743  0.785  0.939  1.0
  O  O12  1  0.266  0.657  0.964  1.0
[/CIF]
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