The material structure described by YMo3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. Y(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form YO6 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 50-55°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Y(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 52-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Mo(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   6.240
_cell_length_c   4.760
_cell_angle_alpha   89.800
_cell_angle_beta   89.800
_cell_angle_gamma   60.552
_symmetry_Int_Tables_number   1
_cell_volume   161.410
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.000  0.500  0.500  1.0
  Mo  Mo3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.357  0.813  0.276  1.0
  O  O5  1  0.660  0.660  0.715  1.0
  O  O6  1  0.187  0.643  0.724  1.0
  O  O7  1  0.173  0.173  0.715  1.0
  O  O8  1  0.813  0.357  0.276  1.0
  O  O9  1  0.340  0.340  0.285  1.0
  O  O10  1  0.827  0.827  0.285  1.0
  O  O11  1  0.643  0.187  0.724  1.0
[/CIF]
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The material structure described by YMo3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic C2/m space group. Y(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form YO6 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 50-55°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. In the second Mo site, Mo(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with four equivalent Y(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 52-55°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to one Mo(1) and two equivalent Mo(2) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Mo(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.240
_cell_length_b   6.240
_cell_length_c   4.760
_cell_angle_alpha   89.800
_cell_angle_beta   89.800
_cell_angle_gamma   60.552
_symmetry_Int_Tables_number   1
_cell_volume   161.410
_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
  Y  Y0  1  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.500  1.0
  Mo  Mo2  1  0.000  0.500  0.500  1.0
  Mo  Mo3  1  0.500  0.000  0.500  1.0
  O  O4  1  0.357  0.813  0.276  1.0
  O  O5  1  0.660  0.660  0.715  1.0
  O  O6  1  0.187  0.643  0.724  1.0
  O  O7  1  0.173  0.173  0.715  1.0
  O  O8  1  0.813  0.357  0.276  1.0
  O  O9  1  0.340  0.340  0.285  1.0
  O  O10  1  0.827  0.827  0.285  1.0
  O  O11  1  0.643  0.187  0.724  1.0
[/CIF]
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