The material structure described by ScMo3O8 is Rutile-derived structured and crystallizes in the triclinic P1 space group. 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, and corners with four equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. 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, 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 50-51°. 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 Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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 Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 distorted trigonal planar geometry to 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 planar geometry to one Sc(1), one Mo(1), and one Mo(3) atom. is represented by the CIF file [CIF]
data_ScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.132
_cell_length_c   4.624
_cell_angle_alpha   90.490
_cell_angle_beta   89.838
_cell_angle_gamma   120.131
_symmetry_Int_Tables_number   1
_cell_volume   148.722
_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
  Sc  Sc0  1  0.333  0.666  0.753  1.0
  Mo  Mo1  1  0.833  0.667  0.253  1.0
  Mo  Mo2  1  0.834  0.167  0.253  1.0
  Mo  Mo3  1  0.334  0.167  0.254  1.0
  O  O4  1  0.517  0.012  0.485  1.0
  O  O5  1  0.675  0.327  0.017  1.0
  O  O6  1  0.671  0.836  0.019  1.0
  O  O7  1  0.168  0.838  0.019  1.0
  O  O8  1  0.995  0.498  0.486  1.0
  O  O9  1  0.993  0.008  0.489  1.0
  O  O10  1  0.151  0.321  0.022  1.0
  O  O11  1  0.499  0.496  0.488  1.0
[/CIF]
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The material structure described by ScMo3O8 is Rutile-derived structured and crystallizes in the triclinic P1 space group. 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, and corners with four equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. 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, 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 50-51°. 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 Mo(1)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. 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 Mo(1)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-53°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1), one Mo(2), and one Mo(3) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1), one Mo(2), and one Mo(3) atom. In the third O site, O(3) is bonded in a distorted trigonal planar 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 distorted trigonal planar geometry to 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 planar geometry to one Sc(1), one Mo(1), and one Mo(3) atom. is represented by the CIF file [CIF]
data_ScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.064
_cell_length_b   6.132
_cell_length_c   4.624
_cell_angle_alpha   90.490
_cell_angle_beta   89.838
_cell_angle_gamma   120.131
_symmetry_Int_Tables_number   1
_cell_volume   148.722
_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
  Sc  Sc0  1  0.333  0.666  0.753  1.0
  Mo  Mo1  1  0.833  0.667  0.253  1.0
  Mo  Mo2  1  0.834  0.167  0.253  1.0
  Mo  Mo3  1  0.334  0.167  0.254  1.0
  O  O4  1  0.517  0.012  0.485  1.0
  O  O5  1  0.675  0.327  0.017  1.0
  O  O6  1  0.671  0.836  0.019  1.0
  O  O7  1  0.168  0.838  0.019  1.0
  O  O8  1  0.995  0.498  0.486  1.0
  O  O9  1  0.993  0.008  0.489  1.0
  O  O10  1  0.151  0.321  0.022  1.0
  O  O11  1  0.499  0.496  0.488  1.0
[/CIF]
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