The compound described by YMo3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. Y(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form YO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra and corners with eight equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom 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 42-56°. In the second Mo site, Mo(2) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are six 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(2) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Y(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.793
_cell_length_b   5.860
_cell_length_c   5.262
_cell_angle_alpha   90.039
_cell_angle_beta   89.699
_cell_angle_gamma   120.425
_symmetry_Int_Tables_number   1
_cell_volume   154.029
_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  0.348  0.674  0.736  1.0
  Mo  Mo1  1  0.854  0.695  0.258  1.0
  Mo  Mo2  1  0.853  0.159  0.258  1.0
  Mo  Mo3  1  0.297  0.148  0.254  1.0
  O  O4  1  0.502  0.012  0.453  1.0
  O  O5  1  0.669  0.334  0.065  1.0
  O  O6  1  0.676  0.838  0.038  1.0
  O  O7  1  0.165  0.838  0.022  1.0
  O  O8  1  0.994  0.497  0.454  1.0
  O  O9  1  0.976  0.989  0.525  1.0
  O  O10  1  0.165  0.328  0.022  1.0
  O  O11  1  0.503  0.490  0.454  1.0
[/CIF]
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The compound described by YMo3O8 is Hydrophilite-derived structured and crystallizes in the monoclinic Cm space group. Y(1) is bonded to one O(3), one O(5), two equivalent O(1), and two equivalent O(4) atoms to form YO6 octahedra that share corners with four equivalent Mo(2)O6 octahedra and corners with eight equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-56°. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom 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 42-56°. In the second Mo site, Mo(2) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with four equivalent Y(1)O6 octahedra and edges with four equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. There are six 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(2) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Y(1) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Y(1) and two equivalent Mo(1) atoms. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mo(2) and two equivalent Mo(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_YMo3O8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.793
_cell_length_b   5.860
_cell_length_c   5.262
_cell_angle_alpha   90.039
_cell_angle_beta   89.699
_cell_angle_gamma   120.425
_symmetry_Int_Tables_number   1
_cell_volume   154.029
_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  0.348  0.674  0.736  1.0
  Mo  Mo1  1  0.854  0.695  0.258  1.0
  Mo  Mo2  1  0.853  0.159  0.258  1.0
  Mo  Mo3  1  0.297  0.148  0.254  1.0
  O  O4  1  0.502  0.012  0.453  1.0
  O  O5  1  0.669  0.334  0.065  1.0
  O  O6  1  0.676  0.838  0.038  1.0
  O  O7  1  0.165  0.838  0.022  1.0
  O  O8  1  0.994  0.497  0.454  1.0
  O  O9  1  0.976  0.989  0.525  1.0
  O  O10  1  0.165  0.328  0.022  1.0
  O  O11  1  0.503  0.490  0.454  1.0
[/CIF]
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