The crystal structure described by CaY5(MoO6)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(12), one O(3), one O(4), one O(5), and one O(7) atom to form distorted YO5 trigonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  a cornercorner with one Y(5)O7 pentagonal bipyramid, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 31-52°. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(5), one O(6), one O(7), and one O(9) atom. In the fifth Y site, Y(5) is bonded to one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Y(1)O5 trigonal bipyramid,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Y(1)O5 trigonal bipyramid. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(4) atom to form MoO6 octahedra that share corners with two equivalent Y(1)O5 trigonal bipyramids, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Y(1)O5 trigonal bipyramids, edges with two equivalent Mo(1)O6 octahedra, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(2), one Y(4), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Y(3), one Y(5), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Y(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Y(1), one Y(3), one Y(4), and one Y(5) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ca(1), one Y(2), one Y(4), and one Y(5) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom. In the eighth O site, O(8) is bonded to one Ca(1), one Y(2), one Y(3), one Y(5), and one Mo(2) atom to form distorted OCaY3Mo trigonal bipyramids that share corners with three equivalent O(9)Y3Mo tetrahedra,  an edgeedge with one O(10)Y3Mo tetrahedra, and edges with two equivalent O(11)CaY3Mo trigonal bipyramids. In the ninth O site, O(9) is bonded to one Y(2), one Y(3), one Y(4), and one Mo(2) atom to form OY3Mo tetrahedra that share  a cornercorner with one O(10)Y3Mo tetrahedra, corners with three equivalent O(8)CaY3Mo trigonal bipyramids,  an edgeedge with one O(10)Y3Mo tetrahedra, and  an edgeedge with one O(11)CaY3Mo trigonal bipyramid. In the tenth O site, O(10) is bonded to one Y(2), one Y(3), one Y(4), and one Mo(1) atom to form OY3Mo tetrahedra that share  a cornercorner with one O(9)Y3Mo tetrahedra, corners with three equivalent O(11)CaY3Mo trigonal bipyramids,  an edgeedge with one O(9)Y3Mo tetrahedra, and  an edgeedge with one O(8)CaY3Mo trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Ca(1), one Y(2), one Y(3), one Y(5), and one Mo(1) atom to form distorted OCaY3Mo trigonal bipyramids that share corners with three equivalent O(10)Y3Mo tetrahedra,  an edgeedge with one O(9)Y3Mo tetrahedra, and edges with two equivalent O(8)CaY3Mo trigonal bipyramids. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Y(1), one Y(3), one Y(4), and one Y(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   7.054
_cell_length_c   7.488
_cell_angle_alpha   105.229
_cell_angle_beta   90.756
_cell_angle_gamma   111.927
_symmetry_Int_Tables_number   1
_cell_volume   280.251
_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  0.673  0.309  0.331  1.0
  Y  Y1  1  0.418  0.943  0.498  1.0
  Y  Y2  1  0.196  0.387  0.827  1.0
  Y  Y3  1  0.815  0.648  0.151  1.0
  Y  Y4  1  0.819  0.645  0.670  1.0
  Y  Y5  1  0.207  0.401  0.356  1.0
  Mo  Mo6  1  0.747  0.004  0.995  1.0
  Mo  Mo7  1  0.267  0.999  0.998  1.0
  O  O8  1  0.016  0.016  0.802  1.0
  O  O9  1  0.018  0.008  0.193  1.0
  O  O10  1  0.497  0.972  0.203  1.0
  O  O11  1  0.486  0.996  0.797  1.0
  O  O12  1  0.579  0.679  0.430  1.0
  O  O13  1  0.944  0.356  0.578  1.0
  O  O14  1  0.414  0.296  0.556  1.0
  O  O15  1  0.419  0.328  0.101  1.0
  O  O16  1  0.078  0.677  0.922  1.0
  O  O17  1  0.590  0.656  0.906  1.0
  O  O18  1  0.927  0.347  0.097  1.0
  O  O19  1  0.067  0.685  0.419  1.0
[/CIF]
.
The crystal structure described by CaY5(MoO6)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(3), one O(5), one O(6), one O(7), and one O(8) atom. There are five inequivalent Y sites. In the first Y site, Y(1) is bonded to one O(12), one O(3), one O(4), one O(5), and one O(7) atom to form distorted YO5 trigonal bipyramids that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra,  a cornercorner with one Y(5)O7 pentagonal bipyramid, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 31-52°. In the second Y site, Y(2) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom. In the third Y site, Y(3) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(12), one O(2), one O(5), one O(8), and one O(9) atom. In the fourth Y site, Y(4) is bonded in a 7-coordinate geometry to one O(1), one O(10), one O(12), one O(5), one O(6), one O(7), and one O(9) atom. In the fifth Y site, Y(5) is bonded to one O(11), one O(12), one O(2), one O(5), one O(6), one O(7), and one O(8) atom to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Y(1)O5 trigonal bipyramid,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, and  an edgeedge with one Y(1)O5 trigonal bipyramid. There are two inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(11), one O(2), one O(3), and one O(4) atom to form MoO6 octahedra that share corners with two equivalent Y(1)O5 trigonal bipyramids, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. In the second Mo site, Mo(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form MoO6 octahedra that share corners with two equivalent Y(1)O5 trigonal bipyramids, edges with two equivalent Mo(1)O6 octahedra, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Y(2), one Y(4), one Mo(1), and one Mo(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Y(3), one Y(5), one Mo(1), and one Mo(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Y(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Ca(1), one Y(1), one Y(3), one Y(4), and one Y(5) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Ca(1), one Y(2), one Y(4), and one Y(5) atom. In the seventh O site, O(7) is bonded in a 5-coordinate geometry to one Ca(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom. In the eighth O site, O(8) is bonded to one Ca(1), one Y(2), one Y(3), one Y(5), and one Mo(2) atom to form distorted OCaY3Mo trigonal bipyramids that share corners with three equivalent O(9)Y3Mo tetrahedra,  an edgeedge with one O(10)Y3Mo tetrahedra, and edges with two equivalent O(11)CaY3Mo trigonal bipyramids. In the ninth O site, O(9) is bonded to one Y(2), one Y(3), one Y(4), and one Mo(2) atom to form OY3Mo tetrahedra that share  a cornercorner with one O(10)Y3Mo tetrahedra, corners with three equivalent O(8)CaY3Mo trigonal bipyramids,  an edgeedge with one O(10)Y3Mo tetrahedra, and  an edgeedge with one O(11)CaY3Mo trigonal bipyramid. In the tenth O site, O(10) is bonded to one Y(2), one Y(3), one Y(4), and one Mo(1) atom to form OY3Mo tetrahedra that share  a cornercorner with one O(9)Y3Mo tetrahedra, corners with three equivalent O(11)CaY3Mo trigonal bipyramids,  an edgeedge with one O(9)Y3Mo tetrahedra, and  an edgeedge with one O(8)CaY3Mo trigonal bipyramid. In the eleventh O site, O(11) is bonded to one Ca(1), one Y(2), one Y(3), one Y(5), and one Mo(1) atom to form distorted OCaY3Mo trigonal bipyramids that share corners with three equivalent O(10)Y3Mo tetrahedra,  an edgeedge with one O(9)Y3Mo tetrahedra, and edges with two equivalent O(8)CaY3Mo trigonal bipyramids. In the twelfth O site, O(12) is bonded in a 5-coordinate geometry to one Ca(1), one Y(1), one Y(3), one Y(4), and one Y(5) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.974
_cell_length_b   7.054
_cell_length_c   7.488
_cell_angle_alpha   105.229
_cell_angle_beta   90.756
_cell_angle_gamma   111.927
_symmetry_Int_Tables_number   1
_cell_volume   280.251
_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  0.673  0.309  0.331  1.0
  Y  Y1  1  0.418  0.943  0.498  1.0
  Y  Y2  1  0.196  0.387  0.827  1.0
  Y  Y3  1  0.815  0.648  0.151  1.0
  Y  Y4  1  0.819  0.645  0.670  1.0
  Y  Y5  1  0.207  0.401  0.356  1.0
  Mo  Mo6  1  0.747  0.004  0.995  1.0
  Mo  Mo7  1  0.267  0.999  0.998  1.0
  O  O8  1  0.016  0.016  0.802  1.0
  O  O9  1  0.018  0.008  0.193  1.0
  O  O10  1  0.497  0.972  0.203  1.0
  O  O11  1  0.486  0.996  0.797  1.0
  O  O12  1  0.579  0.679  0.430  1.0
  O  O13  1  0.944  0.356  0.578  1.0
  O  O14  1  0.414  0.296  0.556  1.0
  O  O15  1  0.419  0.328  0.101  1.0
  O  O16  1  0.078  0.677  0.922  1.0
  O  O17  1  0.590  0.656  0.906  1.0
  O  O18  1  0.927  0.347  0.097  1.0
  O  O19  1  0.067  0.685  0.419  1.0
[/CIF]
.