The structure described by TiMoO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with eight equivalent Ti(1)O6 octahedra and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.710
_cell_length_b   4.710
_cell_length_c   3.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.398
_symmetry_Int_Tables_number   1
_cell_volume   68.704
_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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.207  0.793  0.500  1.0
  O  O3  1  0.793  0.207  0.500  1.0
  O  O4  1  0.308  0.308  0.000  1.0
  O  O5  1  0.692  0.692  0.000  1.0
[/CIF]
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The structure described by TiMoO4 is Hydrophilite-derived structured and crystallizes in the orthorhombic Cmmm space group. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with eight equivalent Mo(1)O6 octahedra and edges with two equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with eight equivalent Ti(1)O6 octahedra and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-51°. There are two inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Ti(1) and two equivalent Mo(1) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to two equivalent Ti(1) and one Mo(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_TiMoO4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.710
_cell_length_b   4.710
_cell_length_c   3.098
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.398
_symmetry_Int_Tables_number   1
_cell_volume   68.704
_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
  Ti  Ti0  1  0.500  0.500  0.500  1.0
  Mo  Mo1  1  0.000  0.000  0.000  1.0
  O  O2  1  0.207  0.793  0.500  1.0
  O  O3  1  0.793  0.207  0.500  1.0
  O  O4  1  0.308  0.308  0.000  1.0
  O  O5  1  0.692  0.692  0.000  1.0
[/CIF]
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