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(5), and one O(8) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, corners with three equivalent Sc(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-66°. Sc(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form ScO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, and corners with three equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. 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 four equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. 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 four equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. 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 four equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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 tetrahedral 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 Sc(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a 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 rectangular see-saw-like 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   6.291
_cell_length_b   6.111
_cell_length_c   4.964
_cell_angle_alpha   89.341
_cell_angle_beta   90.663
_cell_angle_gamma   118.898
_symmetry_Int_Tables_number   1
_cell_volume   167.074
_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  0.669  0.333  0.683  1.0
  Sc  Sc1  1  0.333  0.665  0.756  1.0
  Mo  Mo2  1  0.833  0.685  0.241  1.0
  Mo  Mo3  1  0.836  0.156  0.242  1.0
  Mo  Mo4  1  0.324  0.161  0.234  1.0
  O  O5  1  0.502  0.013  0.495  1.0
  O  O6  1  0.669  0.342  0.053  1.0
  O  O7  1  0.654  0.818  0.000  1.0
  O  O8  1  0.173  0.841  0.024  1.0
  O  O9  1  0.979  0.494  0.491  1.0
  O  O10  1  0.010  0.992  0.461  1.0
  O  O11  1  0.175  0.334  0.020  1.0
  O  O12  1  0.501  0.488  0.491  1.0
[/CIF]
.
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(5), and one O(8) atom to form distorted MgO4 tetrahedra that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra,  a cornercorner with one Mo(3)O6 octahedra, corners with three equivalent Sc(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-66°. Sc(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(7), and one O(8) atom to form ScO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Mo(2)O6 octahedra, corners with four equivalent Mo(3)O6 octahedra, and corners with three equivalent Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. 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 four equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 43-53°. 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 four equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 47-53°. 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 four equivalent Sc(1)O6 octahedra,  a cornercorner with one Mg(1)O4 tetrahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Mg(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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 tetrahedral 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 Sc(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(1), and one Mo(3) atom. In the fifth O site, O(5) is bonded in a 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 rectangular see-saw-like 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   6.291
_cell_length_b   6.111
_cell_length_c   4.964
_cell_angle_alpha   89.341
_cell_angle_beta   90.663
_cell_angle_gamma   118.898
_symmetry_Int_Tables_number   1
_cell_volume   167.074
_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  0.669  0.333  0.683  1.0
  Sc  Sc1  1  0.333  0.665  0.756  1.0
  Mo  Mo2  1  0.833  0.685  0.241  1.0
  Mo  Mo3  1  0.836  0.156  0.242  1.0
  Mo  Mo4  1  0.324  0.161  0.234  1.0
  O  O5  1  0.502  0.013  0.495  1.0
  O  O6  1  0.669  0.342  0.053  1.0
  O  O7  1  0.654  0.818  0.000  1.0
  O  O8  1  0.173  0.841  0.024  1.0
  O  O9  1  0.979  0.494  0.491  1.0
  O  O10  1  0.010  0.992  0.461  1.0
  O  O11  1  0.175  0.334  0.020  1.0
  O  O12  1  0.501  0.488  0.491  1.0
[/CIF]
.