The compound described by MgScMo3O8 crystallizes in the triclinic P1 space group. Mg(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 MgO6 octahedra that share edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and faces with two equivalent Sc(1)O6 octahedra. 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 faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. 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, edges with two equivalent 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 45-47°. 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, 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. The corner-sharing octahedral tilt angles range from 43-48°. 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, 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. The corner-sharing octahedral tilt angles range from 45-49°. 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 trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. 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 rectangular see-saw-like geometry to one Mg(1), 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 trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) 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 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 Crystallographic Information File (CIF) [CIF]
data_MgScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.199
_cell_length_c   5.174
_cell_angle_alpha   90.099
_cell_angle_beta   89.153
_cell_angle_gamma   119.210
_symmetry_Int_Tables_number   1
_cell_volume   171.881
_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  0.334  0.667  0.252  1.0
  Sc  Sc1  1  0.330  0.665  0.752  1.0
  Mo  Mo2  1  0.833  0.667  0.253  1.0
  Mo  Mo3  1  0.834  0.167  0.254  1.0
  Mo  Mo4  1  0.334  0.167  0.253  1.0
  O  O5  1  0.499  0.981  0.472  1.0
  O  O6  1  0.684  0.344  0.059  1.0
  O  O7  1  0.655  0.820  0.032  1.0
  O  O8  1  0.178  0.821  0.028  1.0
  O  O9  1  0.014  0.515  0.474  1.0
  O  O10  1  0.983  0.989  0.449  1.0
  O  O11  1  0.168  0.353  0.033  1.0
  O  O12  1  0.489  0.512  0.477  1.0
[/CIF]
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The compound described by MgScMo3O8 crystallizes in the triclinic P1 space group. Mg(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 MgO6 octahedra that share edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and faces with two equivalent Sc(1)O6 octahedra. 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 faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-49°. 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, edges with two equivalent 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 45-47°. 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, 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. The corner-sharing octahedral tilt angles range from 43-48°. 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, 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. The corner-sharing octahedral tilt angles range from 45-49°. 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 trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. 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 rectangular see-saw-like geometry to one Mg(1), 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 trigonal non-coplanar geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the seventh O site, O(7) 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 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 Crystallographic Information File (CIF) [CIF]
data_MgScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.141
_cell_length_b   6.199
_cell_length_c   5.174
_cell_angle_alpha   90.099
_cell_angle_beta   89.153
_cell_angle_gamma   119.210
_symmetry_Int_Tables_number   1
_cell_volume   171.881
_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  0.334  0.667  0.252  1.0
  Sc  Sc1  1  0.330  0.665  0.752  1.0
  Mo  Mo2  1  0.833  0.667  0.253  1.0
  Mo  Mo3  1  0.834  0.167  0.254  1.0
  Mo  Mo4  1  0.334  0.167  0.253  1.0
  O  O5  1  0.499  0.981  0.472  1.0
  O  O6  1  0.684  0.344  0.059  1.0
  O  O7  1  0.655  0.820  0.032  1.0
  O  O8  1  0.178  0.821  0.028  1.0
  O  O9  1  0.014  0.515  0.474  1.0
  O  O10  1  0.983  0.989  0.449  1.0
  O  O11  1  0.168  0.353  0.033  1.0
  O  O12  1  0.489  0.512  0.477  1.0
[/CIF]
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