The crystal structure described by Y6MoO12 crystallizes in the triclinic P-1 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. In the second Y site, Y(2) is bonded to one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted YO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra and  an edgeedge with one Y(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 31°. In the third Y site, Y(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Y(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Y(3), two equivalent Y(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one Y(3), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Y(3) and two equivalent Y(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Y(1), one Y(2), and one Y(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one Y(3) atom. is represented by the CIF file [CIF]
data_Y6MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.303
_cell_length_b   6.523
_cell_length_c   6.473
_cell_angle_alpha   120.994
_cell_angle_beta   96.995
_cell_angle_gamma   95.450
_symmetry_Int_Tables_number   1
_cell_volume   363.728
_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
  Y  Y0  1  0.081  0.738  0.351  1.0
  Y  Y1  1  0.919  0.262  0.649  1.0
  Y  Y2  1  0.642  0.049  0.198  1.0
  Y  Y3  1  0.358  0.951  0.802  1.0
  Y  Y4  1  0.715  0.736  0.607  1.0
  Y  Y5  1  0.285  0.264  0.393  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.959  0.883  0.645  1.0
  O  O8  1  0.041  0.117  0.355  1.0
  O  O9  1  0.983  0.673  0.935  1.0
  O  O10  1  0.017  0.327  0.065  1.0
  O  O11  1  0.813  0.990  0.995  1.0
  O  O12  1  0.187  0.010  0.005  1.0
  O  O13  1  0.542  0.806  0.783  1.0
  O  O14  1  0.458  0.194  0.217  1.0
  O  O15  1  0.775  0.390  0.479  1.0
  O  O16  1  0.225  0.610  0.521  1.0
  O  O17  1  0.727  0.950  0.447  1.0
  O  O18  1  0.273  0.050  0.553  1.0
[/CIF]
.
The crystal structure described by Y6MoO12 crystallizes in the triclinic P-1 space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms. In the second Y site, Y(2) is bonded to one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted YO5 trigonal bipyramids that share  a cornercorner with one Mo(1)O6 octahedra and  an edgeedge with one Y(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 31°. In the third Y site, Y(3) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and one O(6) atom. Mo(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form MoO6 octahedra that share corners with two equivalent Y(2)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Y(3), two equivalent Y(1), and one Mo(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Y(1) and one Mo(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Y(2), one Y(3), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one Y(3) and two equivalent Y(2) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Y(1), one Y(2), and one Y(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Y(1), one Y(2), and one Y(3) atom. is represented by the CIF file [CIF]
data_Y6MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.303
_cell_length_b   6.523
_cell_length_c   6.473
_cell_angle_alpha   120.994
_cell_angle_beta   96.995
_cell_angle_gamma   95.450
_symmetry_Int_Tables_number   1
_cell_volume   363.728
_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
  Y  Y0  1  0.081  0.738  0.351  1.0
  Y  Y1  1  0.919  0.262  0.649  1.0
  Y  Y2  1  0.642  0.049  0.198  1.0
  Y  Y3  1  0.358  0.951  0.802  1.0
  Y  Y4  1  0.715  0.736  0.607  1.0
  Y  Y5  1  0.285  0.264  0.393  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.959  0.883  0.645  1.0
  O  O8  1  0.041  0.117  0.355  1.0
  O  O9  1  0.983  0.673  0.935  1.0
  O  O10  1  0.017  0.327  0.065  1.0
  O  O11  1  0.813  0.990  0.995  1.0
  O  O12  1  0.187  0.010  0.005  1.0
  O  O13  1  0.542  0.806  0.783  1.0
  O  O14  1  0.458  0.194  0.217  1.0
  O  O15  1  0.775  0.390  0.479  1.0
  O  O16  1  0.225  0.610  0.521  1.0
  O  O17  1  0.727  0.950  0.447  1.0
  O  O18  1  0.273  0.050  0.553  1.0
[/CIF]
.