The structure described by MgScMo3O8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra, edges with two equivalent Sc(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Sc(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Mo site, Mo(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra, edges with four equivalent Mo(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are six 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(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the third O site, O(3) 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 fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.034
_cell_length_b   6.027
_cell_length_c   5.045
_cell_angle_alpha   88.783
_cell_angle_beta   91.225
_cell_angle_gamma   118.023
_symmetry_Int_Tables_number   1
_cell_volume   161.910
_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  0.833  0.166  0.753  1.0
  Sc  Sc1  1  0.333  0.667  0.753  1.0
  Mo  Mo2  1  0.833  0.667  0.253  1.0
  Mo  Mo3  1  0.834  0.167  0.253  1.0
  Mo  Mo4  1  0.334  0.167  0.253  1.0
  O  O5  1  0.511  0.010  0.510  1.0
  O  O6  1  0.664  0.337  0.022  1.0
  O  O7  1  0.677  0.844  0.995  1.0
  O  O8  1  0.166  0.834  0.046  1.0
  O  O9  1  0.990  0.490  0.511  1.0
  O  O10  1  0.003  0.997  0.484  1.0
  O  O11  1  0.156  0.324  0.995  1.0
  O  O12  1  0.501  0.499  0.460  1.0
[/CIF]
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The structure described by MgScMo3O8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra, edges with two equivalent Sc(1)O6 octahedra, and faces with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. Sc(1) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form ScO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra, corners with eight equivalent Mo(1)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MoO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, corners with four equivalent Sc(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-52°. In the second Mo site, Mo(2) is bonded to one O(2), one O(5), two equivalent O(1), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra, edges with four equivalent Mo(1)O6 octahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are six 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(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the third O site, O(3) 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 fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Mo(2), and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_MgScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.034
_cell_length_b   6.027
_cell_length_c   5.045
_cell_angle_alpha   88.783
_cell_angle_beta   91.225
_cell_angle_gamma   118.023
_symmetry_Int_Tables_number   1
_cell_volume   161.910
_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  0.833  0.166  0.753  1.0
  Sc  Sc1  1  0.333  0.667  0.753  1.0
  Mo  Mo2  1  0.833  0.667  0.253  1.0
  Mo  Mo3  1  0.834  0.167  0.253  1.0
  Mo  Mo4  1  0.334  0.167  0.253  1.0
  O  O5  1  0.511  0.010  0.510  1.0
  O  O6  1  0.664  0.337  0.022  1.0
  O  O7  1  0.677  0.844  0.995  1.0
  O  O8  1  0.166  0.834  0.046  1.0
  O  O9  1  0.990  0.490  0.511  1.0
  O  O10  1  0.003  0.997  0.484  1.0
  O  O11  1  0.156  0.324  0.995  1.0
  O  O12  1  0.501  0.499  0.460  1.0
[/CIF]
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