The material structure described by ScAlMgO4 is Aluminum carbonitride-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. Sc(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted ScO6 octahedra that share corners with three equivalent Al(1)O5 trigonal bipyramids and edges with six equivalent Sc(1)O6 octahedra. Al(1) is bonded to one O(2), one O(4), and three equivalent O(1) atoms to form AlO5 trigonal bipyramids that share corners with three equivalent Sc(1)O6 octahedra and corners with six equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Al(1) atoms to form distorted OMgAl3 trigonal pyramids that share  a cornercorner with one O(3)MgSc3 tetrahedra, corners with three equivalent O(4)Sc3Al tetrahedra, corners with six equivalent O(1)MgAl3 trigonal pyramids, and edges with three equivalent O(2)Mg3Al tetrahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Al(1) atom to form OMg3Al tetrahedra that share  a cornercorner with one O(4)Sc3Al tetrahedra, corners with three equivalent O(3)MgSc3 tetrahedra, corners with six equivalent O(2)Mg3Al tetrahedra, and edges with three equivalent O(1)MgAl3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1) and three equivalent Sc(1) atoms to form OMgSc3 tetrahedra that share corners with three equivalent O(2)Mg3Al tetrahedra, corners with three equivalent O(4)Sc3Al tetrahedra, corners with six equivalent O(3)MgSc3 tetrahedra,  a cornercorner with one O(1)MgAl3 trigonal pyramid, and edges with three equivalent O(4)Sc3Al tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Sc(1) and one Al(1) atom to form distorted OSc3Al tetrahedra that share  a cornercorner with one O(2)Mg3Al tetrahedra, corners with three equivalent O(3)MgSc3 tetrahedra, corners with six equivalent O(4)Sc3Al tetrahedra, corners with three equivalent O(1)MgAl3 trigonal pyramids, and edges with three equivalent O(3)MgSc3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgScAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.269
_cell_length_b   3.269
_cell_length_c   8.567
_cell_angle_alpha   90.000
_cell_angle_beta   100.995
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   77.317
_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  0.566  0.217  0.350  1.0
  Sc  Sc1  1  0.991  0.005  0.986  1.0
  Al  Al2  1  0.427  0.787  0.640  1.0
  O  O3  1  0.758  0.121  0.637  1.0
  O  O4  1  0.277  0.862  0.415  1.0
  O  O5  1  0.406  0.297  0.109  1.0
  O  O6  1  0.575  0.712  0.863  1.0
[/CIF]
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The material structure described by ScAlMgO4 is Aluminum carbonitride-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 5-coordinate geometry to one O(1), one O(3), and three equivalent O(2) atoms. Sc(1) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted ScO6 octahedra that share corners with three equivalent Al(1)O5 trigonal bipyramids and edges with six equivalent Sc(1)O6 octahedra. Al(1) is bonded to one O(2), one O(4), and three equivalent O(1) atoms to form AlO5 trigonal bipyramids that share corners with three equivalent Sc(1)O6 octahedra and corners with six equivalent Al(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 61°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1) and three equivalent Al(1) atoms to form distorted OMgAl3 trigonal pyramids that share  a cornercorner with one O(3)MgSc3 tetrahedra, corners with three equivalent O(4)Sc3Al tetrahedra, corners with six equivalent O(1)MgAl3 trigonal pyramids, and edges with three equivalent O(2)Mg3Al tetrahedra. In the second O site, O(2) is bonded to three equivalent Mg(1) and one Al(1) atom to form OMg3Al tetrahedra that share  a cornercorner with one O(4)Sc3Al tetrahedra, corners with three equivalent O(3)MgSc3 tetrahedra, corners with six equivalent O(2)Mg3Al tetrahedra, and edges with three equivalent O(1)MgAl3 trigonal pyramids. In the third O site, O(3) is bonded to one Mg(1) and three equivalent Sc(1) atoms to form OMgSc3 tetrahedra that share corners with three equivalent O(2)Mg3Al tetrahedra, corners with three equivalent O(4)Sc3Al tetrahedra, corners with six equivalent O(3)MgSc3 tetrahedra,  a cornercorner with one O(1)MgAl3 trigonal pyramid, and edges with three equivalent O(4)Sc3Al tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Sc(1) and one Al(1) atom to form distorted OSc3Al tetrahedra that share  a cornercorner with one O(2)Mg3Al tetrahedra, corners with three equivalent O(3)MgSc3 tetrahedra, corners with six equivalent O(4)Sc3Al tetrahedra, corners with three equivalent O(1)MgAl3 trigonal pyramids, and edges with three equivalent O(3)MgSc3 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgScAlO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.269
_cell_length_b   3.269
_cell_length_c   8.567
_cell_angle_alpha   90.000
_cell_angle_beta   100.995
_cell_angle_gamma   59.999
_symmetry_Int_Tables_number   1
_cell_volume   77.317
_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  0.566  0.217  0.350  1.0
  Sc  Sc1  1  0.991  0.005  0.986  1.0
  Al  Al2  1  0.427  0.787  0.640  1.0
  O  O3  1  0.758  0.121  0.637  1.0
  O  O4  1  0.277  0.862  0.415  1.0
  O  O5  1  0.406  0.297  0.109  1.0
  O  O6  1  0.575  0.712  0.863  1.0
[/CIF]
.