The crystal structure described by Tb2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(5) atoms. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Tb(1), one Tb(2), one Tb(3), and one Mo(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Tb(1) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Tb(2) and one Mo(1) atom. In the fourth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tb(1) and one Mo(1) atom. In the fifth O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Tb(3) atoms to form OTb4 tetrahedra that share corners with two equivalent O(1)Tb4 tetrahedra, corners with four equivalent O(2)Tb3Mo tetrahedra,  an edgeedge with one O(2)Tb3Mo tetrahedra, and edges with three equivalent O(1)Tb4 tetrahedra. In the sixth O site, O(2) is bonded to one Tb(1), one Tb(2), one Tb(3), and one Mo(1) atom to form OTb3Mo tetrahedra that share corners with two equivalent O(2)Tb3Mo tetrahedra, corners with four equivalent O(1)Tb4 tetrahedra, and  an edgeedge with one O(1)Tb4 tetrahedra. is represented by the CIF file [CIF]
data_Tb2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.367
_cell_length_b   9.893
_cell_length_c   9.893
_cell_angle_alpha   68.033
_cell_angle_beta   74.907
_cell_angle_gamma   74.907
_symmetry_Int_Tables_number   1
_cell_volume   462.516
_cell_formula_units_Z   4
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  0.620  0.785  0.552  1.0
  Tb  Tb1  1  0.120  0.552  0.785  1.0
  Tb  Tb2  1  0.380  0.215  0.448  1.0
  Tb  Tb3  1  0.880  0.448  0.215  1.0
  Tb  Tb4  1  0.750  0.864  0.136  1.0
  Tb  Tb5  1  0.250  0.136  0.864  1.0
  Tb  Tb6  1  0.750  0.392  0.608  1.0
  Tb  Tb7  1  0.250  0.608  0.392  1.0
  Mo  Mo8  1  0.062  0.013  0.295  1.0
  Mo  Mo9  1  0.438  0.705  0.987  1.0
  Mo  Mo10  1  0.938  0.987  0.705  1.0
  Mo  Mo11  1  0.562  0.295  0.013  1.0
  O  O12  1  0.921  0.574  0.610  1.0
  O  O13  1  0.579  0.390  0.426  1.0
  O  O14  1  0.079  0.426  0.390  1.0
  O  O15  1  0.421  0.610  0.574  1.0
  O  O16  1  0.916  0.809  0.337  1.0
  O  O17  1  0.584  0.663  0.191  1.0
  O  O18  1  0.084  0.191  0.663  1.0
  O  O19  1  0.416  0.337  0.809  1.0
  O  O20  1  0.367  0.885  0.326  1.0
  O  O21  1  0.133  0.674  0.115  1.0
  O  O22  1  0.633  0.115  0.674  1.0
  O  O23  1  0.867  0.326  0.885  1.0
  O  O24  1  0.639  0.288  0.182  1.0
  O  O25  1  0.861  0.818  0.712  1.0
  O  O26  1  0.361  0.712  0.818  1.0
  O  O27  1  0.139  0.182  0.288  1.0
  O  O28  1  0.516  0.112  0.048  1.0
  O  O29  1  0.984  0.952  0.888  1.0
  O  O30  1  0.761  0.025  0.431  1.0
  O  O31  1  0.016  0.048  0.112  1.0
  O  O32  1  0.261  0.431  0.025  1.0
  O  O33  1  0.239  0.975  0.569  1.0
  O  O34  1  0.739  0.569  0.975  1.0
  O  O35  1  0.484  0.888  0.952  1.0
[/CIF]
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The crystal structure described by Tb2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Tb sites. In the first Tb site, Tb(1) is bonded in a 8-coordinate geometry to one O(2), one O(3), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. In the second Tb site, Tb(2) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(5) atoms. In the third Tb site, Tb(3) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(2), one O(3), one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 4-coordinate geometry to one Tb(1), one Tb(2), one Tb(3), and one Mo(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Tb(1) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Tb(2) and one Mo(1) atom. In the fourth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to two equivalent Tb(1) and one Mo(1) atom. In the fifth O site, O(1) is bonded to two equivalent Tb(1) and two equivalent Tb(3) atoms to form OTb4 tetrahedra that share corners with two equivalent O(1)Tb4 tetrahedra, corners with four equivalent O(2)Tb3Mo tetrahedra,  an edgeedge with one O(2)Tb3Mo tetrahedra, and edges with three equivalent O(1)Tb4 tetrahedra. In the sixth O site, O(2) is bonded to one Tb(1), one Tb(2), one Tb(3), and one Mo(1) atom to form OTb3Mo tetrahedra that share corners with two equivalent O(2)Tb3Mo tetrahedra, corners with four equivalent O(1)Tb4 tetrahedra, and  an edgeedge with one O(1)Tb4 tetrahedra. is represented by the CIF file [CIF]
data_Tb2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.367
_cell_length_b   9.893
_cell_length_c   9.893
_cell_angle_alpha   68.033
_cell_angle_beta   74.907
_cell_angle_gamma   74.907
_symmetry_Int_Tables_number   1
_cell_volume   462.516
_cell_formula_units_Z   4
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  0.620  0.785  0.552  1.0
  Tb  Tb1  1  0.120  0.552  0.785  1.0
  Tb  Tb2  1  0.380  0.215  0.448  1.0
  Tb  Tb3  1  0.880  0.448  0.215  1.0
  Tb  Tb4  1  0.750  0.864  0.136  1.0
  Tb  Tb5  1  0.250  0.136  0.864  1.0
  Tb  Tb6  1  0.750  0.392  0.608  1.0
  Tb  Tb7  1  0.250  0.608  0.392  1.0
  Mo  Mo8  1  0.062  0.013  0.295  1.0
  Mo  Mo9  1  0.438  0.705  0.987  1.0
  Mo  Mo10  1  0.938  0.987  0.705  1.0
  Mo  Mo11  1  0.562  0.295  0.013  1.0
  O  O12  1  0.921  0.574  0.610  1.0
  O  O13  1  0.579  0.390  0.426  1.0
  O  O14  1  0.079  0.426  0.390  1.0
  O  O15  1  0.421  0.610  0.574  1.0
  O  O16  1  0.916  0.809  0.337  1.0
  O  O17  1  0.584  0.663  0.191  1.0
  O  O18  1  0.084  0.191  0.663  1.0
  O  O19  1  0.416  0.337  0.809  1.0
  O  O20  1  0.367  0.885  0.326  1.0
  O  O21  1  0.133  0.674  0.115  1.0
  O  O22  1  0.633  0.115  0.674  1.0
  O  O23  1  0.867  0.326  0.885  1.0
  O  O24  1  0.639  0.288  0.182  1.0
  O  O25  1  0.861  0.818  0.712  1.0
  O  O26  1  0.361  0.712  0.818  1.0
  O  O27  1  0.139  0.182  0.288  1.0
  O  O28  1  0.516  0.112  0.048  1.0
  O  O29  1  0.984  0.952  0.888  1.0
  O  O30  1  0.761  0.025  0.431  1.0
  O  O31  1  0.016  0.048  0.112  1.0
  O  O32  1  0.261  0.431  0.025  1.0
  O  O33  1  0.239  0.975  0.569  1.0
  O  O34  1  0.739  0.569  0.975  1.0
  O  O35  1  0.484  0.888  0.952  1.0
[/CIF]
.