The material described by CaY5(MoO6)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(4), one O(6), one O(7), 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(4), one O(5), one O(6), and one O(7) atom to form YO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent 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 42-46°. 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 corners with two equivalent Y(1)O6 octahedra,  an edgeedge with one Y(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. 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)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 43-44°. 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)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 42-46°. 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 distorted T-shaped geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share  a cornercorner with one O(7)CaY4 trigonal bipyramid, corners with two equivalent O(11)CaY3Mo trigonal bipyramids, corners with two equivalent O(9)CaY3Mo trigonal bipyramids, corners with three equivalent O(6)CaY4 trigonal bipyramids, edges with two equivalent O(12)Y4 tetrahedra,  an edgeedge with one O(8)CaY3Mo trigonal bipyramid, and  an edgeedge with one O(7)CaY4 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Ca(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OCaY4 trigonal bipyramids that share  a cornercorner with one O(12)Y4 tetrahedra, corners with three equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(11)CaY3Mo trigonal bipyramid, corners with three equivalent O(8)CaY3Mo trigonal bipyramids,  an edgeedge with one O(12)Y4 tetrahedra,  an edgeedge with one O(11)CaY3Mo trigonal bipyramid,  an edgeedge with one O(7)CaY4 trigonal bipyramid,  a faceface with one O(9)CaY3Mo trigonal bipyramid, and  a faceface with one O(7)CaY4 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OCaY4 trigonal bipyramids that share  a cornercorner with one O(5)Y4 tetrahedra, corners with three equivalent O(12)Y4 tetrahedra,  a cornercorner with one O(8)CaY3Mo trigonal bipyramid,  a cornercorner with one O(9)CaY3Mo trigonal bipyramid, corners with three equivalent O(11)CaY3Mo trigonal bipyramids,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(8)CaY3Mo trigonal bipyramid,  an edgeedge with one O(9)CaY3Mo trigonal bipyramid,  an edgeedge with one O(6)CaY4 trigonal bipyramid, and  a faceface with one O(6)CaY4 trigonal bipyramid. 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 two equivalent O(12)Y4 tetrahedra,  a cornercorner with one O(7)CaY4 trigonal bipyramid, corners with two equivalent O(9)CaY3Mo trigonal bipyramids, corners with three equivalent O(6)CaY4 trigonal bipyramids,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(9)CaY3Mo trigonal bipyramid,  an edgeedge with one O(7)CaY4 trigonal bipyramid, and edges with two equivalent O(11)CaY3Mo trigonal bipyramids. In the ninth O site, O(9) is bonded to one Ca(1), one Y(2), one Y(3), one Y(4), and one Mo(2) atom to form distorted OCaY3Mo trigonal bipyramids that share corners with two equivalent O(12)Y4 tetrahedra, corners with two equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(7)CaY4 trigonal bipyramid, corners with two equivalent O(8)CaY3Mo trigonal bipyramids,  an edgeedge with one O(8)CaY3Mo trigonal bipyramid,  an edgeedge with one O(7)CaY4 trigonal bipyramid,  a faceface with one O(11)CaY3Mo trigonal bipyramid, and  a faceface with one O(6)CaY4 trigonal bipyramid. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Y(2), one Y(3), one Y(4), and one Mo(1) atom. 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 two equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(6)CaY4 trigonal bipyramid, corners with three equivalent O(7)CaY4 trigonal bipyramids,  an edgeedge with one O(12)Y4 tetrahedra,  an edgeedge with one O(6)CaY4 trigonal bipyramid, edges with two equivalent O(8)CaY3Mo trigonal bipyramids, and  a faceface with one O(9)CaY3Mo trigonal bipyramid. 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 OY4 tetrahedra that share  a cornercorner with one O(6)CaY4 trigonal bipyramid, corners with two equivalent O(8)CaY3Mo trigonal bipyramids, corners with two equivalent O(9)CaY3Mo trigonal bipyramids, corners with three equivalent O(7)CaY4 trigonal bipyramids, edges with two equivalent O(5)Y4 tetrahedra,  an edgeedge with one O(11)CaY3Mo trigonal bipyramid, and  an edgeedge with one O(6)CaY4 trigonal bipyramid. is represented by the CIF card [CIF]
data_CaY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.987
_cell_length_b   7.047
_cell_length_c   7.592
_cell_angle_alpha   105.079
_cell_angle_beta   89.827
_cell_angle_gamma   115.841
_symmetry_Int_Tables_number   1
_cell_volume   276.101
_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  0.656  0.331  0.844  1.0
  Y  Y1  1  0.501  0.980  0.477  1.0
  Y  Y2  1  0.195  0.402  0.839  1.0
  Y  Y3  1  0.828  0.651  0.198  1.0
  Y  Y4  1  0.829  0.646  0.634  1.0
  Y  Y5  1  0.198  0.383  0.361  1.0
  Mo  Mo6  1  0.736  0.992  1.000  1.0
  Mo  Mo7  1  0.251  0.996  0.000  1.0
  O  O8  1  0.997  0.013  0.809  1.0
  O  O9  1  0.999  0.009  0.205  1.0
  O  O10  1  0.498  0.975  0.189  1.0
  O  O11  1  0.488  0.975  0.786  1.0
  O  O12  1  0.601  0.695  0.429  1.0
  O  O13  1  0.901  0.313  0.584  1.0
  O  O14  1  0.417  0.316  0.585  1.0
  O  O15  1  0.421  0.352  0.087  1.0
  O  O16  1  0.042  0.648  0.911  1.0
  O  O17  1  0.602  0.663  0.906  1.0
  O  O18  1  0.916  0.331  0.080  1.0
  O  O19  1  0.101  0.690  0.422  1.0
[/CIF]
.
The material described by CaY5(MoO6)2 crystallizes in the triclinic P1 space group. Ca(1) is bonded in a 7-coordinate geometry to one O(10), one O(11), one O(4), one O(6), one O(7), 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(4), one O(5), one O(6), and one O(7) atom to form YO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent 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 42-46°. 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 corners with two equivalent Y(1)O6 octahedra,  an edgeedge with one Y(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra, and  an edgeedge with one Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. 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)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 43-44°. 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)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 42-46°. 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 distorted T-shaped geometry to one Y(1), one Mo(1), and one Mo(2) atom. In the fourth O site, O(4) 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 fifth O site, O(5) is bonded to one Y(1), one Y(3), one Y(4), and one Y(5) atom to form OY4 tetrahedra that share  a cornercorner with one O(7)CaY4 trigonal bipyramid, corners with two equivalent O(11)CaY3Mo trigonal bipyramids, corners with two equivalent O(9)CaY3Mo trigonal bipyramids, corners with three equivalent O(6)CaY4 trigonal bipyramids, edges with two equivalent O(12)Y4 tetrahedra,  an edgeedge with one O(8)CaY3Mo trigonal bipyramid, and  an edgeedge with one O(7)CaY4 trigonal bipyramid. In the sixth O site, O(6) is bonded to one Ca(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OCaY4 trigonal bipyramids that share  a cornercorner with one O(12)Y4 tetrahedra, corners with three equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(11)CaY3Mo trigonal bipyramid, corners with three equivalent O(8)CaY3Mo trigonal bipyramids,  an edgeedge with one O(12)Y4 tetrahedra,  an edgeedge with one O(11)CaY3Mo trigonal bipyramid,  an edgeedge with one O(7)CaY4 trigonal bipyramid,  a faceface with one O(9)CaY3Mo trigonal bipyramid, and  a faceface with one O(7)CaY4 trigonal bipyramid. In the seventh O site, O(7) is bonded to one Ca(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OCaY4 trigonal bipyramids that share  a cornercorner with one O(5)Y4 tetrahedra, corners with three equivalent O(12)Y4 tetrahedra,  a cornercorner with one O(8)CaY3Mo trigonal bipyramid,  a cornercorner with one O(9)CaY3Mo trigonal bipyramid, corners with three equivalent O(11)CaY3Mo trigonal bipyramids,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(8)CaY3Mo trigonal bipyramid,  an edgeedge with one O(9)CaY3Mo trigonal bipyramid,  an edgeedge with one O(6)CaY4 trigonal bipyramid, and  a faceface with one O(6)CaY4 trigonal bipyramid. 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 two equivalent O(12)Y4 tetrahedra,  a cornercorner with one O(7)CaY4 trigonal bipyramid, corners with two equivalent O(9)CaY3Mo trigonal bipyramids, corners with three equivalent O(6)CaY4 trigonal bipyramids,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(9)CaY3Mo trigonal bipyramid,  an edgeedge with one O(7)CaY4 trigonal bipyramid, and edges with two equivalent O(11)CaY3Mo trigonal bipyramids. In the ninth O site, O(9) is bonded to one Ca(1), one Y(2), one Y(3), one Y(4), and one Mo(2) atom to form distorted OCaY3Mo trigonal bipyramids that share corners with two equivalent O(12)Y4 tetrahedra, corners with two equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(7)CaY4 trigonal bipyramid, corners with two equivalent O(8)CaY3Mo trigonal bipyramids,  an edgeedge with one O(8)CaY3Mo trigonal bipyramid,  an edgeedge with one O(7)CaY4 trigonal bipyramid,  a faceface with one O(11)CaY3Mo trigonal bipyramid, and  a faceface with one O(6)CaY4 trigonal bipyramid. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Ca(1), one Y(2), one Y(3), one Y(4), and one Mo(1) atom. 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 two equivalent O(5)Y4 tetrahedra,  a cornercorner with one O(6)CaY4 trigonal bipyramid, corners with three equivalent O(7)CaY4 trigonal bipyramids,  an edgeedge with one O(12)Y4 tetrahedra,  an edgeedge with one O(6)CaY4 trigonal bipyramid, edges with two equivalent O(8)CaY3Mo trigonal bipyramids, and  a faceface with one O(9)CaY3Mo trigonal bipyramid. 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 OY4 tetrahedra that share  a cornercorner with one O(6)CaY4 trigonal bipyramid, corners with two equivalent O(8)CaY3Mo trigonal bipyramids, corners with two equivalent O(9)CaY3Mo trigonal bipyramids, corners with three equivalent O(7)CaY4 trigonal bipyramids, edges with two equivalent O(5)Y4 tetrahedra,  an edgeedge with one O(11)CaY3Mo trigonal bipyramid, and  an edgeedge with one O(6)CaY4 trigonal bipyramid. is represented by the CIF card [CIF]
data_CaY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.987
_cell_length_b   7.047
_cell_length_c   7.592
_cell_angle_alpha   105.079
_cell_angle_beta   89.827
_cell_angle_gamma   115.841
_symmetry_Int_Tables_number   1
_cell_volume   276.101
_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  0.656  0.331  0.844  1.0
  Y  Y1  1  0.501  0.980  0.477  1.0
  Y  Y2  1  0.195  0.402  0.839  1.0
  Y  Y3  1  0.828  0.651  0.198  1.0
  Y  Y4  1  0.829  0.646  0.634  1.0
  Y  Y5  1  0.198  0.383  0.361  1.0
  Mo  Mo6  1  0.736  0.992  1.000  1.0
  Mo  Mo7  1  0.251  0.996  0.000  1.0
  O  O8  1  0.997  0.013  0.809  1.0
  O  O9  1  0.999  0.009  0.205  1.0
  O  O10  1  0.498  0.975  0.189  1.0
  O  O11  1  0.488  0.975  0.786  1.0
  O  O12  1  0.601  0.695  0.429  1.0
  O  O13  1  0.901  0.313  0.584  1.0
  O  O14  1  0.417  0.316  0.585  1.0
  O  O15  1  0.421  0.352  0.087  1.0
  O  O16  1  0.042  0.648  0.911  1.0
  O  O17  1  0.602  0.663  0.906  1.0
  O  O18  1  0.916  0.331  0.080  1.0
  O  O19  1  0.101  0.690  0.422  1.0
[/CIF]
.