The crystal structure described by Tb5(MoO6)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(4), two equivalent O(1), and four equivalent O(2) atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Tb(3)O6 octahedra,  an edgeedge with one Tb(3)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Tb(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(2), and four equivalent O(1) atoms. In the third Tb site, Tb(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TbO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Tb(1)O7 pentagonal bipyramids, and edges with two equivalent Tb(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Tb(3)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Tb(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Tb(1), two equivalent Tb(2), and one Mo(1) atom to form distorted OTb3Mo tetrahedra that share corners with four equivalent O(1)Tb3Mo tetrahedra, corners with six equivalent O(2)Tb4 tetrahedra,  a cornercorner with one O(4)Tb2Mo2 trigonal pyramid,  an edgeedge with one O(2)Tb4 tetrahedra, edges with two equivalent O(1)Tb3Mo tetrahedra, and edges with two equivalent O(4)Tb2Mo2 trigonal pyramids. In the second O site, O(2) is bonded to one Tb(2), one Tb(3), and two equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with four equivalent O(2)Tb4 tetrahedra, corners with six equivalent O(1)Tb3Mo tetrahedra, corners with three equivalent O(4)Tb2Mo2 trigonal pyramids,  an edgeedge with one O(1)Tb3Mo tetrahedra, and edges with three equivalent O(2)Tb4 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tb(3) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to one Tb(1), one Tb(2), and two equivalent Mo(1) atoms to form distorted OTb2Mo2 trigonal pyramids that share corners with two equivalent O(1)Tb3Mo tetrahedra, corners with six equivalent O(2)Tb4 tetrahedra, edges with four equivalent O(1)Tb3Mo tetrahedra, and  an edgeedge with one O(4)Tb2Mo2 trigonal pyramid. is represented by the CIF file [CIF]
data_Tb5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.783
_cell_length_b   6.783
_cell_length_c   7.551
_cell_angle_alpha   73.666
_cell_angle_beta   73.666
_cell_angle_gamma   49.930
_symmetry_Int_Tables_number   1
_cell_volume   252.704
_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
  Tb  Tb0  1  0.306  0.306  0.360  1.0
  Tb  Tb1  1  0.694  0.694  0.640  1.0
  Tb  Tb2  1  0.315  0.315  0.823  1.0
  Tb  Tb3  1  0.685  0.685  0.177  1.0
  Tb  Tb4  1  0.000  0.000  0.500  1.0
  Mo  Mo5  1  0.783  0.217  0.000  1.0
  Mo  Mo6  1  0.217  0.783  0.000  1.0
  O  O7  1  0.908  0.418  0.919  1.0
  O  O8  1  0.418  0.908  0.919  1.0
  O  O9  1  0.092  0.582  0.081  1.0
  O  O10  1  0.582  0.092  0.081  1.0
  O  O11  1  0.097  0.592  0.576  1.0
  O  O12  1  0.592  0.097  0.576  1.0
  O  O13  1  0.903  0.408  0.424  1.0
  O  O14  1  0.408  0.903  0.424  1.0
  O  O15  1  0.000  0.000  0.796  1.0
  O  O16  1  1.000  1.000  0.204  1.0
  O  O17  1  0.501  0.501  0.819  1.0
  O  O18  1  0.499  0.499  0.181  1.0
[/CIF]
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The crystal structure described by Tb5(MoO6)2 crystallizes in the monoclinic C2/m space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded to one O(4), two equivalent O(1), and four equivalent O(2) atoms to form distorted TbO7 pentagonal bipyramids that share corners with two equivalent Tb(3)O6 octahedra,  an edgeedge with one Tb(3)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Tb(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 57°. In the second Tb site, Tb(2) is bonded in a 7-coordinate geometry to one O(4), two equivalent O(2), and four equivalent O(1) atoms. In the third Tb site, Tb(3) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TbO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra, corners with four equivalent Tb(1)O7 pentagonal bipyramids, and edges with two equivalent Tb(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. Mo(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MoO6 octahedra that share corners with two equivalent Tb(3)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, and edges with two equivalent Tb(1)O7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 39°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Tb(1), two equivalent Tb(2), and one Mo(1) atom to form distorted OTb3Mo tetrahedra that share corners with four equivalent O(1)Tb3Mo tetrahedra, corners with six equivalent O(2)Tb4 tetrahedra,  a cornercorner with one O(4)Tb2Mo2 trigonal pyramid,  an edgeedge with one O(2)Tb4 tetrahedra, edges with two equivalent O(1)Tb3Mo tetrahedra, and edges with two equivalent O(4)Tb2Mo2 trigonal pyramids. In the second O site, O(2) is bonded to one Tb(2), one Tb(3), and two equivalent Tb(1) atoms to form OTb4 tetrahedra that share corners with four equivalent O(2)Tb4 tetrahedra, corners with six equivalent O(1)Tb3Mo tetrahedra, corners with three equivalent O(4)Tb2Mo2 trigonal pyramids,  an edgeedge with one O(1)Tb3Mo tetrahedra, and edges with three equivalent O(2)Tb4 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Tb(3) and two equivalent Mo(1) atoms. In the fourth O site, O(4) is bonded to one Tb(1), one Tb(2), and two equivalent Mo(1) atoms to form distorted OTb2Mo2 trigonal pyramids that share corners with two equivalent O(1)Tb3Mo tetrahedra, corners with six equivalent O(2)Tb4 tetrahedra, edges with four equivalent O(1)Tb3Mo tetrahedra, and  an edgeedge with one O(4)Tb2Mo2 trigonal pyramid. is represented by the CIF file [CIF]
data_Tb5(MoO6)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.783
_cell_length_b   6.783
_cell_length_c   7.551
_cell_angle_alpha   73.666
_cell_angle_beta   73.666
_cell_angle_gamma   49.930
_symmetry_Int_Tables_number   1
_cell_volume   252.704
_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
  Tb  Tb0  1  0.306  0.306  0.360  1.0
  Tb  Tb1  1  0.694  0.694  0.640  1.0
  Tb  Tb2  1  0.315  0.315  0.823  1.0
  Tb  Tb3  1  0.685  0.685  0.177  1.0
  Tb  Tb4  1  0.000  0.000  0.500  1.0
  Mo  Mo5  1  0.783  0.217  0.000  1.0
  Mo  Mo6  1  0.217  0.783  0.000  1.0
  O  O7  1  0.908  0.418  0.919  1.0
  O  O8  1  0.418  0.908  0.919  1.0
  O  O9  1  0.092  0.582  0.081  1.0
  O  O10  1  0.582  0.092  0.081  1.0
  O  O11  1  0.097  0.592  0.576  1.0
  O  O12  1  0.592  0.097  0.576  1.0
  O  O13  1  0.903  0.408  0.424  1.0
  O  O14  1  0.408  0.903  0.424  1.0
  O  O15  1  0.000  0.000  0.796  1.0
  O  O16  1  1.000  1.000  0.204  1.0
  O  O17  1  0.501  0.501  0.819  1.0
  O  O18  1  0.499  0.499  0.181  1.0
[/CIF]
.