The material structure described by MgSc4(FeO3)4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Sc(4)O5 trigonal bipyramid, and  an edgeedge with one Sc(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-69°. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(3), one O(4), and one O(7) atom. In the second Sc site, Sc(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form ScO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. In the fourth Sc site, Sc(4) is bonded to one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form distorted ScO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-74°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(5), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(4)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Sc(4)O5 trigonal bipyramid, and edges with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(5), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with two equivalent Sc(4)O5 trigonal bipyramids, and  a faceface with one Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Sc(3), and one Fe(2) atom. In the second O site, O(2) is bonded to one Sc(1), one Sc(2), one Fe(2), and one Fe(4) atom to form distorted OSc2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Sc2Fe2 tetrahedra, corners with three equivalent O(12)Sc2Fe3 trigonal bipyramids, corners with two equivalent O(11)Sc2Fe2 trigonal pyramids, and  an edgeedge with one O(7)Sc2Fe2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Sc(4), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sc(1), one Sc(2), one Fe(2), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(2), one Fe(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(3), one Sc(4), and one Fe(4) atom. In the seventh O site, O(7) is bonded to one Sc(1), one Sc(2), one Fe(3), and one Fe(4) atom to form distorted OSc2Fe2 tetrahedra that share  a cornercorner with one O(10)Sc2Fe2 tetrahedra,  a cornercorner with one O(12)Sc2Fe3 trigonal bipyramid,  a cornercorner with one O(11)Sc2Fe2 trigonal pyramid,  a cornercorner with one O(2)Sc2Fe2 trigonal pyramid,  an edgeedge with one O(12)Sc2Fe3 trigonal bipyramid, and  an edgeedge with one O(2)Sc2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Mg(1), one Sc(3), one Sc(4), and one Fe(1) atom to form distorted OMgSc2Fe tetrahedra that share  a cornercorner with one O(10)Sc2Fe2 tetrahedra,  a cornercorner with one O(12)Sc2Fe3 trigonal bipyramid, corners with two equivalent O(11)Sc2Fe2 trigonal pyramids, and  an edgeedge with one O(10)Sc2Fe2 tetrahedra. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Sc(2), one Sc(3), one Fe(2), and one Fe(4) atom. In the tenth O site, O(10) is bonded to one Sc(3), one Sc(4), one Fe(1), and one Fe(3) atom to form OSc2Fe2 tetrahedra that share  a cornercorner with one O(8)MgSc2Fe tetrahedra,  a cornercorner with one O(7)Sc2Fe2 tetrahedra,  an edgeedge with one O(8)MgSc2Fe tetrahedra,  an edgeedge with one O(12)Sc2Fe3 trigonal bipyramid, and  an edgeedge with one O(11)Sc2Fe2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Sc(3), one Sc(4), one Fe(2), and one Fe(4) atom to form distorted OSc2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Sc2Fe2 tetrahedra, corners with two equivalent O(8)MgSc2Fe tetrahedra,  a cornercorner with one O(12)Sc2Fe3 trigonal bipyramid, corners with two equivalent O(2)Sc2Fe2 trigonal pyramids, and  an edgeedge with one O(10)Sc2Fe2 tetrahedra. In the twelfth O site, O(12) is bonded to one Sc(1), one Sc(2), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OSc2Fe3 trigonal bipyramids that share  a cornercorner with one O(8)MgSc2Fe tetrahedra,  a cornercorner with one O(7)Sc2Fe2 tetrahedra,  a cornercorner with one O(11)Sc2Fe2 trigonal pyramid, corners with three equivalent O(2)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(10)Sc2Fe2 tetrahedra, and  an edgeedge with one O(7)Sc2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_MgSc4(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   5.640
_cell_length_c   8.061
_cell_angle_alpha   88.915
_cell_angle_beta   87.660
_cell_angle_gamma   86.778
_symmetry_Int_Tables_number   1
_cell_volume   239.085
_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  0.397  0.233  0.094  1.0
  Sc  Sc1  1  0.011  0.967  0.732  1.0
  Sc  Sc2  1  0.509  0.445  0.704  1.0
  Sc  Sc3  1  0.548  0.620  0.282  1.0
  Sc  Sc4  1  0.951  0.015  0.206  1.0
  Fe  Fe5  1  0.971  0.511  0.991  1.0
  Fe  Fe6  1  0.016  0.526  0.495  1.0
  Fe  Fe7  1  0.502  0.838  0.896  1.0
  Fe  Fe8  1  0.483  0.041  0.495  1.0
  O  O9  1  0.200  0.478  0.278  1.0
  O  O10  1  0.194  0.245  0.604  1.0
  O  O11  1  0.159  0.038  0.958  1.0
  O  O12  1  0.298  0.749  0.597  1.0
  O  O13  1  0.344  0.518  0.933  1.0
  O  O14  1  0.335  0.981  0.282  1.0
  O  O15  1  0.641  0.092  0.741  1.0
  O  O16  1  0.741  0.313  0.138  1.0
  O  O17  1  0.680  0.372  0.465  1.0
  O  O18  1  0.740  0.792  0.087  1.0
  O  O19  1  0.801  0.841  0.421  1.0
  O  O20  1  0.839  0.623  0.751  1.0
[/CIF]
.
The material structure described by MgSc4(FeO3)4 is Aluminum carbonitride-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(3), one O(5), one O(6), and one O(8) atom to form distorted MgO5 trigonal bipyramids that share  a cornercorner with one Sc(2)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Sc(4)O5 trigonal bipyramid, and  an edgeedge with one Sc(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 30-69°. There are four inequivalent Sc sites. In the first Sc site, Sc(1) is bonded in a 5-coordinate geometry to one O(12), one O(2), one O(3), one O(4), and one O(7) atom. In the second Sc site, Sc(2) is bonded to one O(12), one O(2), one O(4), one O(5), one O(7), and one O(9) atom to form ScO6 octahedra that share  a cornercorner with one Fe(4)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, edges with two equivalent Fe(2)O6 octahedra, and  a faceface with one Fe(4)O6 octahedra. The corner-sharing octahedral tilt angles are 58°. In the third Sc site, Sc(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(8), and one O(9) atom. In the fourth Sc site, Sc(4) is bonded to one O(10), one O(11), one O(3), one O(6), and one O(8) atom to form distorted ScO5 trigonal bipyramids that share  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, and  an edgeedge with one Mg(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 49-74°. There are four inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to one O(10), one O(12), one O(5), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(1), one O(11), one O(12), one O(2), one O(4), and one O(9) atom to form FeO6 octahedra that share corners with four equivalent Fe(4)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid,  a cornercorner with one Sc(4)O5 trigonal bipyramid, and edges with two equivalent Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-56°. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(10), one O(12), one O(3), one O(5), and one O(7) atom. In the fourth Fe site, Fe(4) is bonded to one O(11), one O(2), one O(4), one O(6), one O(7), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one Sc(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra,  a cornercorner with one Mg(1)O5 trigonal bipyramid, corners with two equivalent Sc(4)O5 trigonal bipyramids, and  a faceface with one Sc(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mg(1), one Sc(3), and one Fe(2) atom. In the second O site, O(2) is bonded to one Sc(1), one Sc(2), one Fe(2), and one Fe(4) atom to form distorted OSc2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Sc2Fe2 tetrahedra, corners with three equivalent O(12)Sc2Fe3 trigonal bipyramids, corners with two equivalent O(11)Sc2Fe2 trigonal pyramids, and  an edgeedge with one O(7)Sc2Fe2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Sc(4), and one Fe(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Sc(1), one Sc(2), one Fe(2), and one Fe(4) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(2), one Fe(1), and one Fe(3) atom. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(3), one Sc(4), and one Fe(4) atom. In the seventh O site, O(7) is bonded to one Sc(1), one Sc(2), one Fe(3), and one Fe(4) atom to form distorted OSc2Fe2 tetrahedra that share  a cornercorner with one O(10)Sc2Fe2 tetrahedra,  a cornercorner with one O(12)Sc2Fe3 trigonal bipyramid,  a cornercorner with one O(11)Sc2Fe2 trigonal pyramid,  a cornercorner with one O(2)Sc2Fe2 trigonal pyramid,  an edgeedge with one O(12)Sc2Fe3 trigonal bipyramid, and  an edgeedge with one O(2)Sc2Fe2 trigonal pyramid. In the eighth O site, O(8) is bonded to one Mg(1), one Sc(3), one Sc(4), and one Fe(1) atom to form distorted OMgSc2Fe tetrahedra that share  a cornercorner with one O(10)Sc2Fe2 tetrahedra,  a cornercorner with one O(12)Sc2Fe3 trigonal bipyramid, corners with two equivalent O(11)Sc2Fe2 trigonal pyramids, and  an edgeedge with one O(10)Sc2Fe2 tetrahedra. In the ninth O site, O(9) is bonded in a distorted see-saw-like geometry to one Sc(2), one Sc(3), one Fe(2), and one Fe(4) atom. In the tenth O site, O(10) is bonded to one Sc(3), one Sc(4), one Fe(1), and one Fe(3) atom to form OSc2Fe2 tetrahedra that share  a cornercorner with one O(8)MgSc2Fe tetrahedra,  a cornercorner with one O(7)Sc2Fe2 tetrahedra,  an edgeedge with one O(8)MgSc2Fe tetrahedra,  an edgeedge with one O(12)Sc2Fe3 trigonal bipyramid, and  an edgeedge with one O(11)Sc2Fe2 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Sc(3), one Sc(4), one Fe(2), and one Fe(4) atom to form distorted OSc2Fe2 trigonal pyramids that share  a cornercorner with one O(7)Sc2Fe2 tetrahedra, corners with two equivalent O(8)MgSc2Fe tetrahedra,  a cornercorner with one O(12)Sc2Fe3 trigonal bipyramid, corners with two equivalent O(2)Sc2Fe2 trigonal pyramids, and  an edgeedge with one O(10)Sc2Fe2 tetrahedra. In the twelfth O site, O(12) is bonded to one Sc(1), one Sc(2), one Fe(1), one Fe(2), and one Fe(3) atom to form distorted OSc2Fe3 trigonal bipyramids that share  a cornercorner with one O(8)MgSc2Fe tetrahedra,  a cornercorner with one O(7)Sc2Fe2 tetrahedra,  a cornercorner with one O(11)Sc2Fe2 trigonal pyramid, corners with three equivalent O(2)Sc2Fe2 trigonal pyramids,  an edgeedge with one O(10)Sc2Fe2 tetrahedra, and  an edgeedge with one O(7)Sc2Fe2 tetrahedra. is represented by the CIF file [CIF]
data_MgSc4(FeO3)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.272
_cell_length_b   5.640
_cell_length_c   8.061
_cell_angle_alpha   88.915
_cell_angle_beta   87.660
_cell_angle_gamma   86.778
_symmetry_Int_Tables_number   1
_cell_volume   239.085
_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  0.397  0.233  0.094  1.0
  Sc  Sc1  1  0.011  0.967  0.732  1.0
  Sc  Sc2  1  0.509  0.445  0.704  1.0
  Sc  Sc3  1  0.548  0.620  0.282  1.0
  Sc  Sc4  1  0.951  0.015  0.206  1.0
  Fe  Fe5  1  0.971  0.511  0.991  1.0
  Fe  Fe6  1  0.016  0.526  0.495  1.0
  Fe  Fe7  1  0.502  0.838  0.896  1.0
  Fe  Fe8  1  0.483  0.041  0.495  1.0
  O  O9  1  0.200  0.478  0.278  1.0
  O  O10  1  0.194  0.245  0.604  1.0
  O  O11  1  0.159  0.038  0.958  1.0
  O  O12  1  0.298  0.749  0.597  1.0
  O  O13  1  0.344  0.518  0.933  1.0
  O  O14  1  0.335  0.981  0.282  1.0
  O  O15  1  0.641  0.092  0.741  1.0
  O  O16  1  0.741  0.313  0.138  1.0
  O  O17  1  0.680  0.372  0.465  1.0
  O  O18  1  0.740  0.792  0.087  1.0
  O  O19  1  0.801  0.841  0.421  1.0
  O  O20  1  0.839  0.623  0.751  1.0
[/CIF]
.