The crystal structure described by ScMo3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. Sc(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form ScO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and corners with eight equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra and edges with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mo site, Mo(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms 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 48-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. 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(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.097
_cell_length_b   6.097
_cell_length_c   4.638
_cell_angle_alpha   89.560
_cell_angle_beta   89.560
_cell_angle_gamma   59.863
_symmetry_Int_Tables_number   1
_cell_volume   149.112
_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  0.673  0.327  0.000  1.0
  Mo  Mo1  1  0.174  0.826  0.500  1.0
  Mo  Mo2  1  0.161  0.332  0.488  1.0
  Mo  Mo3  1  0.668  0.839  0.512  1.0
  O  O4  1  0.496  0.168  0.262  1.0
  O  O5  1  0.323  0.993  0.727  1.0
  O  O6  1  0.320  0.514  0.728  1.0
  O  O7  1  0.835  0.994  0.729  1.0
  O  O8  1  0.006  0.165  0.271  1.0
  O  O9  1  0.007  0.677  0.273  1.0
  O  O10  1  0.832  0.504  0.738  1.0
  O  O11  1  0.486  0.680  0.272  1.0
[/CIF]
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The crystal structure described by ScMo3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic C2 space group. Sc(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form ScO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and corners with eight equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-53°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Sc(1)O6 octahedra and edges with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mo site, Mo(2) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms 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 48-53°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Sc(1) and two equivalent Mo(2) atoms. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Mo(1) and two equivalent Mo(2) atoms. 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(2) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_ScMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.097
_cell_length_b   6.097
_cell_length_c   4.638
_cell_angle_alpha   89.560
_cell_angle_beta   89.560
_cell_angle_gamma   59.863
_symmetry_Int_Tables_number   1
_cell_volume   149.112
_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  0.673  0.327  0.000  1.0
  Mo  Mo1  1  0.174  0.826  0.500  1.0
  Mo  Mo2  1  0.161  0.332  0.488  1.0
  Mo  Mo3  1  0.668  0.839  0.512  1.0
  O  O4  1  0.496  0.168  0.262  1.0
  O  O5  1  0.323  0.993  0.727  1.0
  O  O6  1  0.320  0.514  0.728  1.0
  O  O7  1  0.835  0.994  0.729  1.0
  O  O8  1  0.006  0.165  0.271  1.0
  O  O9  1  0.007  0.677  0.273  1.0
  O  O10  1  0.832  0.504  0.738  1.0
  O  O11  1  0.486  0.680  0.272  1.0
[/CIF]
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