The material structure described by Y5Mo2O12 crystallizes in the monoclinic C2/m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Y(3)O7 pentagonal bipyramids, and edges with two equivalent Y(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(4) atoms. In the third Y site, Y(3) is bonded to one O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted YO7 pentagonal bipyramids that share corners with two equivalent Y(1)O6 octahedra,  an edgeedge with one Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Y(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Y(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Y(2), one Y(3), and two equivalent Mo(1) atoms to form distorted OY2Mo2 trigonal pyramids that share corners with two equivalent O(4)Y3Mo tetrahedra, corners with six equivalent O(3)Y4 tetrahedra, edges with four equivalent O(4)Y3Mo tetrahedra, and  an edgeedge with one O(1)Y2Mo2 trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded to one Y(1), one Y(2), and two equivalent Y(3) atoms to form OY4 tetrahedra that share corners with four equivalent O(3)Y4 tetrahedra, corners with six equivalent O(4)Y3Mo tetrahedra, corners with three equivalent O(1)Y2Mo2 trigonal pyramids,  an edgeedge with one O(4)Y3Mo tetrahedra, and edges with three equivalent O(3)Y4 tetrahedra. In the fourth O site, O(4) is bonded to one Y(3), two equivalent Y(2), and one Mo(1) atom to form distorted OY3Mo tetrahedra that share corners with four equivalent O(4)Y3Mo tetrahedra, corners with six equivalent O(3)Y4 tetrahedra,  a cornercorner with one O(1)Y2Mo2 trigonal pyramid,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(4)Y3Mo tetrahedra, and edges with two equivalent O(1)Y2Mo2 trigonal pyramids. is represented by the CIF file [CIF]
data_Y5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.761
_cell_length_b   6.761
_cell_length_c   7.513
_cell_angle_alpha   73.684
_cell_angle_beta   73.684
_cell_angle_gamma   49.986
_symmetry_Int_Tables_number   1
_cell_volume   250.047
_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  0.500  0.500  0.500  1.0
  Y  Y1  1  0.185  0.185  0.178  1.0
  Y  Y2  1  0.815  0.815  0.822  1.0
  Y  Y3  1  0.806  0.806  0.360  1.0
  Y  Y4  1  0.194  0.194  0.640  1.0
  Mo  Mo5  1  0.717  0.283  0.000  1.0
  Mo  Mo6  1  0.283  0.717  0.000  1.0
  O  O7  1  0.999  0.999  0.182  1.0
  O  O8  1  0.001  0.001  0.818  1.0
  O  O9  1  0.499  0.499  0.795  1.0
  O  O10  1  0.501  0.501  0.205  1.0
  O  O11  1  0.597  0.093  0.575  1.0
  O  O12  1  0.907  0.403  0.425  1.0
  O  O13  1  0.403  0.907  0.425  1.0
  O  O14  1  0.408  0.919  0.917  1.0
  O  O15  1  0.081  0.592  0.083  1.0
  O  O16  1  0.592  0.081  0.083  1.0
  O  O17  1  0.919  0.408  0.917  1.0
  O  O18  1  0.093  0.597  0.575  1.0
[/CIF]
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The material structure described by Y5Mo2O12 crystallizes in the monoclinic C2/m space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form YO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Y(3)O7 pentagonal bipyramids, and edges with two equivalent Y(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(3), and four equivalent O(4) atoms. In the third Y site, Y(3) is bonded to one O(1), two equivalent O(4), and four equivalent O(3) atoms to form distorted YO7 pentagonal bipyramids that share corners with two equivalent Y(1)O6 octahedra,  an edgeedge with one Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Y(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Y(1)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Y(3)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Y(2), one Y(3), and two equivalent Mo(1) atoms to form distorted OY2Mo2 trigonal pyramids that share corners with two equivalent O(4)Y3Mo tetrahedra, corners with six equivalent O(3)Y4 tetrahedra, edges with four equivalent O(4)Y3Mo tetrahedra, and  an edgeedge with one O(1)Y2Mo2 trigonal pyramid. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Y(1) and two equivalent Mo(1) atoms. In the third O site, O(3) is bonded to one Y(1), one Y(2), and two equivalent Y(3) atoms to form OY4 tetrahedra that share corners with four equivalent O(3)Y4 tetrahedra, corners with six equivalent O(4)Y3Mo tetrahedra, corners with three equivalent O(1)Y2Mo2 trigonal pyramids,  an edgeedge with one O(4)Y3Mo tetrahedra, and edges with three equivalent O(3)Y4 tetrahedra. In the fourth O site, O(4) is bonded to one Y(3), two equivalent Y(2), and one Mo(1) atom to form distorted OY3Mo tetrahedra that share corners with four equivalent O(4)Y3Mo tetrahedra, corners with six equivalent O(3)Y4 tetrahedra,  a cornercorner with one O(1)Y2Mo2 trigonal pyramid,  an edgeedge with one O(3)Y4 tetrahedra, edges with two equivalent O(4)Y3Mo tetrahedra, and edges with two equivalent O(1)Y2Mo2 trigonal pyramids. is represented by the CIF file [CIF]
data_Y5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.761
_cell_length_b   6.761
_cell_length_c   7.513
_cell_angle_alpha   73.684
_cell_angle_beta   73.684
_cell_angle_gamma   49.986
_symmetry_Int_Tables_number   1
_cell_volume   250.047
_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  0.500  0.500  0.500  1.0
  Y  Y1  1  0.185  0.185  0.178  1.0
  Y  Y2  1  0.815  0.815  0.822  1.0
  Y  Y3  1  0.806  0.806  0.360  1.0
  Y  Y4  1  0.194  0.194  0.640  1.0
  Mo  Mo5  1  0.717  0.283  0.000  1.0
  Mo  Mo6  1  0.283  0.717  0.000  1.0
  O  O7  1  0.999  0.999  0.182  1.0
  O  O8  1  0.001  0.001  0.818  1.0
  O  O9  1  0.499  0.499  0.795  1.0
  O  O10  1  0.501  0.501  0.205  1.0
  O  O11  1  0.597  0.093  0.575  1.0
  O  O12  1  0.907  0.403  0.425  1.0
  O  O13  1  0.403  0.907  0.425  1.0
  O  O14  1  0.408  0.919  0.917  1.0
  O  O15  1  0.081  0.592  0.083  1.0
  O  O16  1  0.592  0.081  0.083  1.0
  O  O17  1  0.919  0.408  0.917  1.0
  O  O18  1  0.093  0.597  0.575  1.0
[/CIF]
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