The compound described by MgScMo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form distorted MgO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Sc(1)O4 tetrahedra,  an edgeedge with one Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. Sc(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form ScO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and corners with three equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-67°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Sc(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with three equivalent Sc(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Sc(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(3) atom. is represented by the CIF card [CIF]
data_MgScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.434
_cell_length_c   5.460
_cell_angle_alpha   67.096
_cell_angle_beta   90.678
_cell_angle_gamma   119.299
_symmetry_Int_Tables_number   1
_cell_volume   170.474
_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  0.556  0.111  0.798  1.0
  Sc  Sc1  1  0.273  0.544  0.609  1.0
  Mo  Mo2  1  0.848  0.696  0.239  1.0
  Mo  Mo3  1  0.840  0.174  0.274  1.0
  Mo  Mo4  1  0.333  0.173  0.270  1.0
  O  O5  1  0.460  0.937  0.534  1.0
  O  O6  1  0.699  0.421  0.052  1.0
  O  O7  1  0.713  0.930  0.066  1.0
  O  O8  1  0.219  0.931  0.065  1.0
  O  O9  1  0.926  0.403  0.511  1.0
  O  O10  1  0.969  0.912  0.478  1.0
  O  O11  1  0.211  0.401  0.011  1.0
  O  O12  1  0.475  0.401  0.507  1.0
[/CIF]
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The compound described by MgScMo3O8 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form distorted MgO6 octahedra that share corners with three equivalent Mo(1)O6 octahedra, corners with three equivalent Sc(1)O4 tetrahedra,  an edgeedge with one Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. Sc(1) is bonded to one O(1), one O(5), one O(7), and one O(8) atom to form ScO4 tetrahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with three equivalent Mg(1)O6 octahedra, corners with three equivalent Mo(2)O6 octahedra, and corners with three equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-67°. There are three inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Mg(1)O6 octahedra, corners with two equivalent Sc(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-20°. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form MoO6 octahedra that share corners with three equivalent Sc(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. In the third Mo site, Mo(3) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form MoO6 octahedra that share corners with three equivalent Sc(1)O4 tetrahedra, edges with two equivalent Mg(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted see-saw-like geometry to one Mg(1), one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Mg(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(2) atom. In the sixth O site, O(6) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(2), and one Mo(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Sc(1), one Mo(1), and one Mo(3) atom. is represented by the CIF card [CIF]
data_MgScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.197
_cell_length_b   6.434
_cell_length_c   5.460
_cell_angle_alpha   67.096
_cell_angle_beta   90.678
_cell_angle_gamma   119.299
_symmetry_Int_Tables_number   1
_cell_volume   170.474
_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  0.556  0.111  0.798  1.0
  Sc  Sc1  1  0.273  0.544  0.609  1.0
  Mo  Mo2  1  0.848  0.696  0.239  1.0
  Mo  Mo3  1  0.840  0.174  0.274  1.0
  Mo  Mo4  1  0.333  0.173  0.270  1.0
  O  O5  1  0.460  0.937  0.534  1.0
  O  O6  1  0.699  0.421  0.052  1.0
  O  O7  1  0.713  0.930  0.066  1.0
  O  O8  1  0.219  0.931  0.065  1.0
  O  O9  1  0.926  0.403  0.511  1.0
  O  O10  1  0.969  0.912  0.478  1.0
  O  O11  1  0.211  0.401  0.011  1.0
  O  O12  1  0.475  0.401  0.507  1.0
[/CIF]
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