The structure described by Yb6MoO12 crystallizes in the triclinic P-1 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms. In the second Yb site, Yb(2) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form YbO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra and edges with two equivalent Yb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms. 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 Yb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. 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 Yb(1), two equivalent Yb(3), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(3), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Yb(2), one Yb(3), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Yb(1), two equivalent Yb(2), and one O(5) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(3), two equivalent Yb(2), and one O(4) atom. In the sixth O site, O(6) is bonded to one Yb(2), one Yb(3), and two equivalent Yb(1) atoms to form edge-sharing OYb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb6MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.181
_cell_length_b   8.039
_cell_length_c   8.617
_cell_angle_alpha   137.499
_cell_angle_beta   114.128
_cell_angle_gamma   51.100
_symmetry_Int_Tables_number   1
_cell_volume   332.607
_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
  Yb  Yb0  1  0.155  0.789  0.262  1.0
  Yb  Yb1  1  0.845  0.211  0.738  1.0
  Yb  Yb2  1  0.645  0.082  0.235  1.0
  Yb  Yb3  1  0.355  0.918  0.765  1.0
  Yb  Yb4  1  0.935  0.515  0.678  1.0
  Yb  Yb5  1  0.065  0.485  0.322  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.938  0.822  0.684  1.0
  O  O8  1  0.062  0.178  0.316  1.0
  O  O9  1  0.164  0.623  0.904  1.0
  O  O10  1  0.836  0.377  0.096  1.0
  O  O11  1  0.807  0.996  0.039  1.0
  O  O12  1  0.193  0.004  0.961  1.0
  O  O13  1  0.628  0.673  0.876  1.0
  O  O14  1  0.372  0.327  0.124  1.0
  O  O15  1  0.662  0.510  0.634  1.0
  O  O16  1  0.338  0.490  0.366  1.0
  O  O17  1  0.910  0.857  0.341  1.0
  O  O18  1  0.090  0.143  0.659  1.0
[/CIF]
.
The structure described by Yb6MoO12 crystallizes in the triclinic P-1 space group. There are three inequivalent Yb sites. In the first Yb site, Yb(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), and two equivalent O(6) atoms. In the second Yb site, Yb(2) is bonded to one O(3), one O(6), two equivalent O(4), and two equivalent O(5) atoms to form YbO6 octahedra that share  a cornercorner with one Mo(1)O6 octahedra and edges with two equivalent Yb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. In the third Yb site, Yb(3) is bonded in a 6-coordinate geometry to one O(2), one O(3), one O(5), one O(6), and two equivalent O(1) atoms. 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 Yb(2)O6 octahedra. The corner-sharing octahedral tilt angles are 27°. 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 Yb(1), two equivalent Yb(3), and one Mo(1) atom. In the second O site, O(2) is bonded in a distorted T-shaped geometry to one Yb(1), one Yb(3), and one Mo(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Yb(2), one Yb(3), and one Mo(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Yb(1), two equivalent Yb(2), and one O(5) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one Yb(1), one Yb(3), two equivalent Yb(2), and one O(4) atom. In the sixth O site, O(6) is bonded to one Yb(2), one Yb(3), and two equivalent Yb(1) atoms to form edge-sharing OYb4 tetrahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Yb6MoO12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.181
_cell_length_b   8.039
_cell_length_c   8.617
_cell_angle_alpha   137.499
_cell_angle_beta   114.128
_cell_angle_gamma   51.100
_symmetry_Int_Tables_number   1
_cell_volume   332.607
_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
  Yb  Yb0  1  0.155  0.789  0.262  1.0
  Yb  Yb1  1  0.845  0.211  0.738  1.0
  Yb  Yb2  1  0.645  0.082  0.235  1.0
  Yb  Yb3  1  0.355  0.918  0.765  1.0
  Yb  Yb4  1  0.935  0.515  0.678  1.0
  Yb  Yb5  1  0.065  0.485  0.322  1.0
  Mo  Mo6  1  0.000  0.000  0.000  1.0
  O  O7  1  0.938  0.822  0.684  1.0
  O  O8  1  0.062  0.178  0.316  1.0
  O  O9  1  0.164  0.623  0.904  1.0
  O  O10  1  0.836  0.377  0.096  1.0
  O  O11  1  0.807  0.996  0.039  1.0
  O  O12  1  0.193  0.004  0.961  1.0
  O  O13  1  0.628  0.673  0.876  1.0
  O  O14  1  0.372  0.327  0.124  1.0
  O  O15  1  0.662  0.510  0.634  1.0
  O  O16  1  0.338  0.490  0.366  1.0
  O  O17  1  0.910  0.857  0.341  1.0
  O  O18  1  0.090  0.143  0.659  1.0
[/CIF]
.