The structure described by CaY5(MoO6)2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CaO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and edges with two equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. 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 and edges with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. 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 in a 7-coordinate geometry to one O(1), two equivalent O(4), and four equivalent O(3) atoms. 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 Ca(1)O6 octahedra, corners with two equivalent Y(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Y(2), one Y(3), and two equivalent Mo(1) atoms to form distorted OCaY2Mo2 trigonal bipyramids that share corners with two equivalent O(4)Y3Mo tetrahedra,  a cornercorner with one O(1)CaY2Mo2 trigonal bipyramid, corners with two equivalent O(3)CaY4 trigonal bipyramids, edges with four equivalent O(4)Y3Mo tetrahedra,  an edgeedge with one O(1)CaY2Mo2 trigonal bipyramid, and edges with four equivalent O(3)CaY4 trigonal bipyramids. 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 Ca(1), one Y(1), one Y(2), and two equivalent Y(3) atoms to form distorted OCaY4 trigonal bipyramids that share corners with six equivalent O(4)Y3Mo tetrahedra,  a cornercorner with one O(1)CaY2Mo2 trigonal bipyramid, corners with four equivalent O(3)CaY4 trigonal bipyramids,  an edgeedge with one O(4)Y3Mo tetrahedra, edges with two equivalent O(1)CaY2Mo2 trigonal bipyramids, edges with three equivalent O(3)CaY4 trigonal bipyramids, and  a faceface with one O(3)CaY4 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Y(3), two equivalent Y(2), and one Mo(1) atom to form OY3Mo tetrahedra that share corners with four equivalent O(4)Y3Mo tetrahedra,  a cornercorner with one O(1)CaY2Mo2 trigonal bipyramid, corners with six equivalent O(3)CaY4 trigonal bipyramids, edges with two equivalent O(4)Y3Mo tetrahedra,  an edgeedge with one O(3)CaY4 trigonal bipyramid, and edges with two equivalent O(1)CaY2Mo2 trigonal bipyramids. is represented by the CIF file [CIF]
data_CaY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.988
_cell_length_b   6.986
_cell_length_c   7.535
_cell_angle_alpha   105.278
_cell_angle_beta   90.000
_cell_angle_gamma   115.377
_symmetry_Int_Tables_number   1
_cell_volume   272.410
_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
  Ca  Ca0  1  0.000  0.000  0.500  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Y  Y2  1  0.200  0.400  0.863  1.0
  Y  Y3  1  0.800  0.600  0.137  1.0
  Y  Y4  1  0.791  0.582  0.648  1.0
  Y  Y5  1  0.209  0.418  0.352  1.0
  Mo  Mo6  1  0.715  0.000  0.000  1.0
  Mo  Mo7  1  0.285  0.000  0.000  1.0
  O  O8  1  0.004  0.008  0.811  1.0
  O  O9  1  0.996  0.992  0.189  1.0
  O  O10  1  0.489  0.977  0.206  1.0
  O  O11  1  0.511  0.023  0.794  1.0
  O  O12  1  0.611  0.706  0.435  1.0
  O  O13  1  0.905  0.294  0.565  1.0
  O  O14  1  0.389  0.294  0.565  1.0
  O  O15  1  0.405  0.343  0.097  1.0
  O  O16  1  0.062  0.657  0.903  1.0
  O  O17  1  0.595  0.657  0.903  1.0
  O  O18  1  0.938  0.343  0.097  1.0
  O  O19  1  0.095  0.706  0.435  1.0
[/CIF]
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The structure described by CaY5(MoO6)2 crystallizes in the monoclinic C2/m space group. Ca(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form CaO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and edges with two equivalent Y(1)O6 octahedra. The corner-sharing octahedral tilt angles are 50°. 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 and edges with two equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles are 40°. 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 in a 7-coordinate geometry to one O(1), two equivalent O(4), and four equivalent O(3) atoms. 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 Ca(1)O6 octahedra, corners with two equivalent Y(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-50°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ca(1), one Y(2), one Y(3), and two equivalent Mo(1) atoms to form distorted OCaY2Mo2 trigonal bipyramids that share corners with two equivalent O(4)Y3Mo tetrahedra,  a cornercorner with one O(1)CaY2Mo2 trigonal bipyramid, corners with two equivalent O(3)CaY4 trigonal bipyramids, edges with four equivalent O(4)Y3Mo tetrahedra,  an edgeedge with one O(1)CaY2Mo2 trigonal bipyramid, and edges with four equivalent O(3)CaY4 trigonal bipyramids. 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 Ca(1), one Y(1), one Y(2), and two equivalent Y(3) atoms to form distorted OCaY4 trigonal bipyramids that share corners with six equivalent O(4)Y3Mo tetrahedra,  a cornercorner with one O(1)CaY2Mo2 trigonal bipyramid, corners with four equivalent O(3)CaY4 trigonal bipyramids,  an edgeedge with one O(4)Y3Mo tetrahedra, edges with two equivalent O(1)CaY2Mo2 trigonal bipyramids, edges with three equivalent O(3)CaY4 trigonal bipyramids, and  a faceface with one O(3)CaY4 trigonal bipyramid. In the fourth O site, O(4) is bonded to one Y(3), two equivalent Y(2), and one Mo(1) atom to form OY3Mo tetrahedra that share corners with four equivalent O(4)Y3Mo tetrahedra,  a cornercorner with one O(1)CaY2Mo2 trigonal bipyramid, corners with six equivalent O(3)CaY4 trigonal bipyramids, edges with two equivalent O(4)Y3Mo tetrahedra,  an edgeedge with one O(3)CaY4 trigonal bipyramid, and edges with two equivalent O(1)CaY2Mo2 trigonal bipyramids. is represented by the CIF file [CIF]
data_CaY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.988
_cell_length_b   6.986
_cell_length_c   7.535
_cell_angle_alpha   105.278
_cell_angle_beta   90.000
_cell_angle_gamma   115.377
_symmetry_Int_Tables_number   1
_cell_volume   272.410
_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
  Ca  Ca0  1  0.000  0.000  0.500  1.0
  Y  Y1  1  0.500  0.000  0.500  1.0
  Y  Y2  1  0.200  0.400  0.863  1.0
  Y  Y3  1  0.800  0.600  0.137  1.0
  Y  Y4  1  0.791  0.582  0.648  1.0
  Y  Y5  1  0.209  0.418  0.352  1.0
  Mo  Mo6  1  0.715  0.000  0.000  1.0
  Mo  Mo7  1  0.285  0.000  0.000  1.0
  O  O8  1  0.004  0.008  0.811  1.0
  O  O9  1  0.996  0.992  0.189  1.0
  O  O10  1  0.489  0.977  0.206  1.0
  O  O11  1  0.511  0.023  0.794  1.0
  O  O12  1  0.611  0.706  0.435  1.0
  O  O13  1  0.905  0.294  0.565  1.0
  O  O14  1  0.389  0.294  0.565  1.0
  O  O15  1  0.405  0.343  0.097  1.0
  O  O16  1  0.062  0.657  0.903  1.0
  O  O17  1  0.595  0.657  0.903  1.0
  O  O18  1  0.938  0.343  0.097  1.0
  O  O19  1  0.095  0.706  0.435  1.0
[/CIF]
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