The structure described by LiY5(MoO6)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-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(2)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids, corners with two equivalent Y(5)O7 pentagonal bipyramids,  an edgeedge with one Y(4)O7 pentagonal bipyramid, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-47°. In the second Y site, Y(2) is bonded to one O(1), one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Y(1)O6 octahedra,  a cornercorner with one Y(4)O7 pentagonal bipyramid,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, edges with two equivalent Y(4)O7 pentagonal bipyramids, and edges with two equivalent Y(5)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-54°. 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 to one O(1), one O(10), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form distorted YO7 pentagonal bipyramids that share corners with two equivalent Y(1)O6 octahedra,  a cornercorner with one Y(2)O7 pentagonal bipyramid,  an edgeedge with one Y(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, edges with two equivalent Y(2)O7 pentagonal bipyramids, and edges with two equivalent Y(5)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. 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,  an edgeedge with one Mo(2)O6 octahedra, edges with two equivalent Y(2)O7 pentagonal bipyramids, and edges with two equivalent Y(4)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. 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,  a cornercorner with one Y(2)O7 pentagonal bipyramid, edges with two equivalent Mo(2)O6 octahedra,  an edgeedge with one Y(2)O7 pentagonal bipyramid,  an edgeedge with one Y(4)O7 pentagonal bipyramid, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-47°. 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,  a cornercorner with one Y(2)O7 pentagonal bipyramid, edges with two equivalent Mo(1)O6 octahedra,  an edgeedge with one Y(2)O7 pentagonal bipyramid,  an edgeedge with one Y(4)O7 pentagonal bipyramid, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Y(2), one Y(4), one Mo(1), and one Mo(2) atom to form OY2Mo2 trigonal pyramids that share  a cornercorner with one O(12)Y4 tetrahedra,  a cornercorner with one O(5)Y4 tetrahedra, corners with two equivalent O(7)LiY4 trigonal bipyramids,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(8)LiY3Mo trigonal bipyramid. 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 Li(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)LiY4 trigonal bipyramid, corners with two equivalent O(11)LiY3Mo trigonal bipyramids,  a cornercorner with one O(1)Y2Mo2 trigonal pyramid, edges with two equivalent O(12)Y4 tetrahedra,  an edgeedge with one O(8)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(7)LiY4 trigonal bipyramid. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OLiY4 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)LiY3Mo trigonal bipyramid, corners with three equivalent O(11)LiY3Mo trigonal bipyramids, corners with two equivalent O(1)Y2Mo2 trigonal pyramids,  an edgeedge with one O(5)Y4 tetrahedra, and  an edgeedge with one O(8)LiY3Mo trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(1), one Y(2), one Y(3), one Y(5), and one Mo(2) atom to form distorted OLiY3Mo trigonal bipyramids that share corners with two equivalent O(12)Y4 tetrahedra,  a cornercorner with one O(7)LiY4 trigonal bipyramid,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(7)LiY4 trigonal bipyramid, edges with two equivalent O(11)LiY3Mo trigonal bipyramids, and  an edgeedge with one O(1)Y2Mo2 trigonal pyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Y(3), one Y(4), and one Mo(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(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 Li(1), one Y(2), one Y(3), one Y(5), and one Mo(1) atom to form distorted OLiY3Mo trigonal bipyramids that share corners with two equivalent O(5)Y4 tetrahedra, corners with three equivalent O(7)LiY4 trigonal bipyramids,  an edgeedge with one O(12)Y4 tetrahedra, edges with two equivalent O(8)LiY3Mo trigonal bipyramids, and  an edgeedge with one O(1)Y2Mo2 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 OY4 tetrahedra that share corners with two equivalent O(8)LiY3Mo trigonal bipyramids, corners with three equivalent O(7)LiY4 trigonal bipyramids,  a cornercorner with one O(1)Y2Mo2 trigonal pyramid, edges with two equivalent O(5)Y4 tetrahedra, and  an edgeedge with one O(11)LiY3Mo trigonal bipyramid. is represented by the CIF card [CIF]
data_LiY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.955
_cell_length_c   7.410
_cell_angle_alpha   105.109
_cell_angle_beta   90.020
_cell_angle_gamma   115.569
_symmetry_Int_Tables_number   1
_cell_volume   267.200
_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
  Li  Li0  1  0.654  0.314  0.864  1.0
  Y  Y1  1  0.496  0.992  0.492  1.0
  Y  Y2  1  0.197  0.394  0.831  1.0
  Y  Y3  1  0.820  0.641  0.188  1.0
  Y  Y4  1  0.807  0.614  0.636  1.0
  Y  Y5  1  0.196  0.393  0.360  1.0
  Mo  Mo6  1  0.745  0.998  1.000  1.0
  Mo  Mo7  1  0.253  0.998  1.000  1.0
  O  O8  1  0.003  0.007  0.811  1.0
  O  O9  1  0.005  0.009  0.203  1.0
  O  O10  1  0.496  0.992  0.184  1.0
  O  O11  1  0.501  0.002  0.798  1.0
  O  O12  1  0.593  0.691  0.425  1.0
  O  O13  1  0.900  0.311  0.580  1.0
  O  O14  1  0.411  0.310  0.581  1.0
  O  O15  1  0.417  0.337  0.074  1.0
  O  O16  1  0.059  0.664  0.911  1.0
  O  O17  1  0.604  0.664  0.911  1.0
  O  O18  1  0.920  0.338  0.074  1.0
  O  O19  1  0.098  0.691  0.425  1.0
[/CIF]
.
The structure described by LiY5(MoO6)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 3-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(2)O7 pentagonal bipyramids, corners with two equivalent Y(4)O7 pentagonal bipyramids, corners with two equivalent Y(5)O7 pentagonal bipyramids,  an edgeedge with one Y(4)O7 pentagonal bipyramid, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-47°. In the second Y site, Y(2) is bonded to one O(1), one O(10), one O(11), one O(6), one O(7), one O(8), and one O(9) atom to form distorted YO7 pentagonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra,  a cornercorner with one Mo(2)O6 octahedra, corners with two equivalent Y(1)O6 octahedra,  a cornercorner with one Y(4)O7 pentagonal bipyramid,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, edges with two equivalent Y(4)O7 pentagonal bipyramids, and edges with two equivalent Y(5)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles range from 50-54°. 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 to one O(1), one O(10), one O(12), one O(5), one O(6), one O(7), and one O(9) atom to form distorted YO7 pentagonal bipyramids that share corners with two equivalent Y(1)O6 octahedra,  a cornercorner with one Y(2)O7 pentagonal bipyramid,  an edgeedge with one Y(1)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra, edges with two equivalent Y(2)O7 pentagonal bipyramids, and edges with two equivalent Y(5)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 54°. 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,  an edgeedge with one Mo(2)O6 octahedra, edges with two equivalent Y(2)O7 pentagonal bipyramids, and edges with two equivalent Y(4)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 58°. 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,  a cornercorner with one Y(2)O7 pentagonal bipyramid, edges with two equivalent Mo(2)O6 octahedra,  an edgeedge with one Y(2)O7 pentagonal bipyramid,  an edgeedge with one Y(4)O7 pentagonal bipyramid, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-47°. 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,  a cornercorner with one Y(2)O7 pentagonal bipyramid, edges with two equivalent Mo(1)O6 octahedra,  an edgeedge with one Y(2)O7 pentagonal bipyramid,  an edgeedge with one Y(4)O7 pentagonal bipyramid, and  an edgeedge with one Y(5)O7 pentagonal bipyramid. The corner-sharing octahedral tilt angles range from 45-47°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Y(2), one Y(4), one Mo(1), and one Mo(2) atom to form OY2Mo2 trigonal pyramids that share  a cornercorner with one O(12)Y4 tetrahedra,  a cornercorner with one O(5)Y4 tetrahedra, corners with two equivalent O(7)LiY4 trigonal bipyramids,  an edgeedge with one O(11)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(8)LiY3Mo trigonal bipyramid. 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 Li(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)LiY4 trigonal bipyramid, corners with two equivalent O(11)LiY3Mo trigonal bipyramids,  a cornercorner with one O(1)Y2Mo2 trigonal pyramid, edges with two equivalent O(12)Y4 tetrahedra,  an edgeedge with one O(8)LiY3Mo trigonal bipyramid, and  an edgeedge with one O(7)LiY4 trigonal bipyramid. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one Li(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom. In the seventh O site, O(7) is bonded to one Li(1), one Y(1), one Y(2), one Y(4), and one Y(5) atom to form distorted OLiY4 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)LiY3Mo trigonal bipyramid, corners with three equivalent O(11)LiY3Mo trigonal bipyramids, corners with two equivalent O(1)Y2Mo2 trigonal pyramids,  an edgeedge with one O(5)Y4 tetrahedra, and  an edgeedge with one O(8)LiY3Mo trigonal bipyramid. In the eighth O site, O(8) is bonded to one Li(1), one Y(2), one Y(3), one Y(5), and one Mo(2) atom to form distorted OLiY3Mo trigonal bipyramids that share corners with two equivalent O(12)Y4 tetrahedra,  a cornercorner with one O(7)LiY4 trigonal bipyramid,  an edgeedge with one O(5)Y4 tetrahedra,  an edgeedge with one O(7)LiY4 trigonal bipyramid, edges with two equivalent O(11)LiY3Mo trigonal bipyramids, and  an edgeedge with one O(1)Y2Mo2 trigonal pyramid. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Y(2), one Y(3), one Y(4), and one Mo(2) atom. In the tenth O site, O(10) is bonded in a 5-coordinate geometry to one Li(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 Li(1), one Y(2), one Y(3), one Y(5), and one Mo(1) atom to form distorted OLiY3Mo trigonal bipyramids that share corners with two equivalent O(5)Y4 tetrahedra, corners with three equivalent O(7)LiY4 trigonal bipyramids,  an edgeedge with one O(12)Y4 tetrahedra, edges with two equivalent O(8)LiY3Mo trigonal bipyramids, and  an edgeedge with one O(1)Y2Mo2 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 OY4 tetrahedra that share corners with two equivalent O(8)LiY3Mo trigonal bipyramids, corners with three equivalent O(7)LiY4 trigonal bipyramids,  a cornercorner with one O(1)Y2Mo2 trigonal pyramid, edges with two equivalent O(5)Y4 tetrahedra, and  an edgeedge with one O(11)LiY3Mo trigonal bipyramid. is represented by the CIF card [CIF]
data_LiY5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.003
_cell_length_b   6.955
_cell_length_c   7.410
_cell_angle_alpha   105.109
_cell_angle_beta   90.020
_cell_angle_gamma   115.569
_symmetry_Int_Tables_number   1
_cell_volume   267.200
_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
  Li  Li0  1  0.654  0.314  0.864  1.0
  Y  Y1  1  0.496  0.992  0.492  1.0
  Y  Y2  1  0.197  0.394  0.831  1.0
  Y  Y3  1  0.820  0.641  0.188  1.0
  Y  Y4  1  0.807  0.614  0.636  1.0
  Y  Y5  1  0.196  0.393  0.360  1.0
  Mo  Mo6  1  0.745  0.998  1.000  1.0
  Mo  Mo7  1  0.253  0.998  1.000  1.0
  O  O8  1  0.003  0.007  0.811  1.0
  O  O9  1  0.005  0.009  0.203  1.0
  O  O10  1  0.496  0.992  0.184  1.0
  O  O11  1  0.501  0.002  0.798  1.0
  O  O12  1  0.593  0.691  0.425  1.0
  O  O13  1  0.900  0.311  0.580  1.0
  O  O14  1  0.411  0.310  0.581  1.0
  O  O15  1  0.417  0.337  0.074  1.0
  O  O16  1  0.059  0.664  0.911  1.0
  O  O17  1  0.604  0.664  0.911  1.0
  O  O18  1  0.920  0.338  0.074  1.0
  O  O19  1  0.098  0.691  0.425  1.0
[/CIF]
.