The structure described by CaY5(MoO6)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(8), and one O(9) 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(5), one O(6), and one O(7) atom to form distorted YO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Y(5)O7 pentagonal bipyramids, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 46-48°. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(6), one O(7), and one O(9) atom. In the third Y site, Y(3) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(2), one O(5), and one O(8) 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 corners with two equivalent Y(1)O5 trigonal bipyramids,  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  a cornercorner with one Y(1)O5 trigonal bipyramid, 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  a cornercorner with one Y(1)O5 trigonal bipyramid, 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 to one Ca(1), one Y(2), one Y(4), one Mo(1), and one Mo(2) atom to form distorted OCaY2Mo2 square pyramids that share corners with two equivalent O(6)Y4 tetrahedra, corners with two equivalent O(7)Y4 tetrahedra,  a cornercorner with one O(12)Y4 trigonal pyramid,  a cornercorner with one O(5)Y4 trigonal pyramid,  an edgeedge with one O(11)CaY2Mo tetrahedra, and  an edgeedge with one O(8)CaY2Mo tetrahedra. In the second O site, O(2) is bonded in a distorted 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 water-like geometry to one Mo(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form distorted OY4 trigonal pyramids that share  a cornercorner with one O(1)CaY2Mo2 square pyramid,  a cornercorner with one O(7)Y4 tetrahedra, corners with two equivalent O(11)CaY2Mo tetrahedra, corners with three equivalent O(6)Y4 tetrahedra,  an edgeedge with one O(8)CaY2Mo tetrahedra,  an edgeedge with one O(7)Y4 tetrahedra, and edges with two equivalent O(12)Y4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Y(1), one Y(2), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share corners with two equivalent O(1)CaY2Mo2 square pyramids,  a cornercorner with one O(11)CaY2Mo tetrahedra,  a cornercorner with one O(8)CaY2Mo tetrahedra,  a cornercorner with one O(12)Y4 trigonal pyramid, corners with three equivalent O(5)Y4 trigonal pyramids, edges with two equivalent O(7)Y4 tetrahedra, and  an edgeedge with one O(12)Y4 trigonal pyramid. In the seventh O site, O(7) is bonded to one Y(1), one Y(2), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share corners with two equivalent O(1)CaY2Mo2 square pyramids,  a cornercorner with one O(11)CaY2Mo tetrahedra,  a cornercorner with one O(8)CaY2Mo tetrahedra,  a cornercorner with one O(5)Y4 trigonal pyramid, corners with three equivalent O(12)Y4 trigonal pyramids, edges with two equivalent O(6)Y4 tetrahedra, and  an edgeedge with one O(5)Y4 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ca(1), one Y(3), one Y(5), and one Mo(2) atom to form distorted OCaY2Mo tetrahedra that share  a cornercorner with one O(11)CaY2Mo tetrahedra,  a cornercorner with one O(6)Y4 tetrahedra,  a cornercorner with one O(7)Y4 tetrahedra, corners with two equivalent O(12)Y4 trigonal pyramids,  an edgeedge with one O(1)CaY2Mo2 square pyramid,  an edgeedge with one O(11)CaY2Mo tetrahedra, and  an edgeedge with one O(5)Y4 trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Y(2), one Y(4), and one Mo(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Y(2), one Y(4), and one Mo(1) atom. In the eleventh O site, O(11) is bonded to one Ca(1), one Y(3), one Y(5), and one Mo(1) atom to form OCaY2Mo tetrahedra that share  a cornercorner with one O(8)CaY2Mo tetrahedra,  a cornercorner with one O(6)Y4 tetrahedra,  a cornercorner with one O(7)Y4 tetrahedra, corners with two equivalent O(5)Y4 trigonal pyramids,  an edgeedge with one O(1)CaY2Mo2 square pyramid,  an edgeedge with one O(8)CaY2Mo tetrahedra, and  an edgeedge with one O(12)Y4 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form distorted OY4 trigonal pyramids that share  a cornercorner with one O(1)CaY2Mo2 square pyramid,  a cornercorner with one O(6)Y4 tetrahedra, corners with two equivalent O(8)CaY2Mo tetrahedra, corners with three equivalent O(7)Y4 tetrahedra,  an edgeedge with one O(11)CaY2Mo tetrahedra,  an edgeedge with one O(6)Y4 tetrahedra, and edges with two equivalent O(5)Y4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   6.606
_cell_length_c   8.917
_cell_angle_alpha   107.788
_cell_angle_beta   89.348
_cell_angle_gamma   117.966
_symmetry_Int_Tables_number   1
_cell_volume   298.002
_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  0.264  0.515  0.038  1.0
  Y  Y1  1  0.487  0.981  0.433  1.0
  Y  Y2  1  0.150  0.300  0.706  1.0
  Y  Y3  1  0.813  0.623  0.262  1.0
  Y  Y4  1  0.801  0.606  0.663  1.0
  Y  Y5  1  0.185  0.372  0.361  1.0
  Mo  Mo6  1  0.742  0.981  0.007  1.0
  Mo  Mo7  1  0.250  0.978  0.001  1.0
  O  O8  1  0.027  0.040  0.846  1.0
  O  O9  1  0.976  0.934  0.169  1.0
  O  O10  1  0.456  0.912  0.169  1.0
  O  O11  1  0.522  0.060  0.883  1.0
  O  O12  1  0.598  0.712  0.456  1.0
  O  O13  1  0.882  0.280  0.534  1.0
  O  O14  1  0.391  0.278  0.528  1.0
  O  O15  1  0.413  0.341  0.158  1.0
  O  O16  1  0.060  0.611  0.858  1.0
  O  O17  1  0.533  0.598  0.845  1.0
  O  O18  1  0.942  0.355  0.164  1.0
  O  O19  1  0.102  0.717  0.464  1.0
[/CIF]
.
The structure described by CaY5(MoO6)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(11), one O(3), one O(8), and one O(9) 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(5), one O(6), and one O(7) atom to form distorted YO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Y(5)O7 pentagonal bipyramids, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 46-48°. In the second Y site, Y(2) is bonded in a 5-coordinate geometry to one O(1), one O(10), one O(6), one O(7), and one O(9) atom. In the third Y site, Y(3) is bonded in a 5-coordinate geometry to one O(11), one O(12), one O(2), one O(5), and one O(8) 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 corners with two equivalent Y(1)O5 trigonal bipyramids,  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  a cornercorner with one Y(1)O5 trigonal bipyramid, 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  a cornercorner with one Y(1)O5 trigonal bipyramid, 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 to one Ca(1), one Y(2), one Y(4), one Mo(1), and one Mo(2) atom to form distorted OCaY2Mo2 square pyramids that share corners with two equivalent O(6)Y4 tetrahedra, corners with two equivalent O(7)Y4 tetrahedra,  a cornercorner with one O(12)Y4 trigonal pyramid,  a cornercorner with one O(5)Y4 trigonal pyramid,  an edgeedge with one O(11)CaY2Mo tetrahedra, and  an edgeedge with one O(8)CaY2Mo tetrahedra. In the second O site, O(2) is bonded in a distorted 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 water-like geometry to one Mo(1) and one Mo(2) atom. In the fifth O site, O(5) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form distorted OY4 trigonal pyramids that share  a cornercorner with one O(1)CaY2Mo2 square pyramid,  a cornercorner with one O(7)Y4 tetrahedra, corners with two equivalent O(11)CaY2Mo tetrahedra, corners with three equivalent O(6)Y4 tetrahedra,  an edgeedge with one O(8)CaY2Mo tetrahedra,  an edgeedge with one O(7)Y4 tetrahedra, and edges with two equivalent O(12)Y4 trigonal pyramids. In the sixth O site, O(6) is bonded to one Y(1), one Y(2), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share corners with two equivalent O(1)CaY2Mo2 square pyramids,  a cornercorner with one O(11)CaY2Mo tetrahedra,  a cornercorner with one O(8)CaY2Mo tetrahedra,  a cornercorner with one O(12)Y4 trigonal pyramid, corners with three equivalent O(5)Y4 trigonal pyramids, edges with two equivalent O(7)Y4 tetrahedra, and  an edgeedge with one O(12)Y4 trigonal pyramid. In the seventh O site, O(7) is bonded to one Y(1), one Y(2), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share corners with two equivalent O(1)CaY2Mo2 square pyramids,  a cornercorner with one O(11)CaY2Mo tetrahedra,  a cornercorner with one O(8)CaY2Mo tetrahedra,  a cornercorner with one O(5)Y4 trigonal pyramid, corners with three equivalent O(12)Y4 trigonal pyramids, edges with two equivalent O(6)Y4 tetrahedra, and  an edgeedge with one O(5)Y4 trigonal pyramid. In the eighth O site, O(8) is bonded to one Ca(1), one Y(3), one Y(5), and one Mo(2) atom to form distorted OCaY2Mo tetrahedra that share  a cornercorner with one O(11)CaY2Mo tetrahedra,  a cornercorner with one O(6)Y4 tetrahedra,  a cornercorner with one O(7)Y4 tetrahedra, corners with two equivalent O(12)Y4 trigonal pyramids,  an edgeedge with one O(1)CaY2Mo2 square pyramid,  an edgeedge with one O(11)CaY2Mo tetrahedra, and  an edgeedge with one O(5)Y4 trigonal pyramid. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Y(2), one Y(4), and one Mo(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Ca(1), one Y(2), one Y(4), and one Mo(1) atom. In the eleventh O site, O(11) is bonded to one Ca(1), one Y(3), one Y(5), and one Mo(1) atom to form OCaY2Mo tetrahedra that share  a cornercorner with one O(8)CaY2Mo tetrahedra,  a cornercorner with one O(6)Y4 tetrahedra,  a cornercorner with one O(7)Y4 tetrahedra, corners with two equivalent O(5)Y4 trigonal pyramids,  an edgeedge with one O(1)CaY2Mo2 square pyramid,  an edgeedge with one O(8)CaY2Mo tetrahedra, and  an edgeedge with one O(12)Y4 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form distorted OY4 trigonal pyramids that share  a cornercorner with one O(1)CaY2Mo2 square pyramid,  a cornercorner with one O(6)Y4 tetrahedra, corners with two equivalent O(8)CaY2Mo tetrahedra, corners with three equivalent O(7)Y4 tetrahedra,  an edgeedge with one O(11)CaY2Mo tetrahedra,  an edgeedge with one O(6)Y4 tetrahedra, and edges with two equivalent O(5)Y4 trigonal pyramids. is represented by the Crystallographic Information File (CIF) [CIF]
data_CaY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.091
_cell_length_b   6.606
_cell_length_c   8.917
_cell_angle_alpha   107.788
_cell_angle_beta   89.348
_cell_angle_gamma   117.966
_symmetry_Int_Tables_number   1
_cell_volume   298.002
_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  0.264  0.515  0.038  1.0
  Y  Y1  1  0.487  0.981  0.433  1.0
  Y  Y2  1  0.150  0.300  0.706  1.0
  Y  Y3  1  0.813  0.623  0.262  1.0
  Y  Y4  1  0.801  0.606  0.663  1.0
  Y  Y5  1  0.185  0.372  0.361  1.0
  Mo  Mo6  1  0.742  0.981  0.007  1.0
  Mo  Mo7  1  0.250  0.978  0.001  1.0
  O  O8  1  0.027  0.040  0.846  1.0
  O  O9  1  0.976  0.934  0.169  1.0
  O  O10  1  0.456  0.912  0.169  1.0
  O  O11  1  0.522  0.060  0.883  1.0
  O  O12  1  0.598  0.712  0.456  1.0
  O  O13  1  0.882  0.280  0.534  1.0
  O  O14  1  0.391  0.278  0.528  1.0
  O  O15  1  0.413  0.341  0.158  1.0
  O  O16  1  0.060  0.611  0.858  1.0
  O  O17  1  0.533  0.598  0.845  1.0
  O  O18  1  0.942  0.355  0.164  1.0
  O  O19  1  0.102  0.717  0.464  1.0
[/CIF]
.