The crystal structure described by Y2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second Y site, Y(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 Y site, Y(3) 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. 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 Y(1), one Y(2), one Y(3), and one Mo(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Y(3) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Y(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 Y(3) and one Mo(1) atom. In the fifth O site, O(1) is bonded to two equivalent Y(1) and two equivalent Y(3) atoms to form OY4 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y3Mo tetrahedra,  an edgeedge with one O(2)Y3Mo tetrahedra, and edges with three equivalent O(1)Y4 tetrahedra. In the sixth O site, O(2) is bonded to one Y(1), one Y(2), one Y(3), and one Mo(1) atom to form OY3Mo tetrahedra that share corners with two equivalent O(2)Y3Mo tetrahedra, corners with four equivalent O(1)Y4 tetrahedra, and  an edgeedge with one O(1)Y4 tetrahedra. is represented by the CIF file [CIF]
data_Y2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.869
_cell_length_b   9.869
_cell_length_c   5.351
_cell_angle_alpha   74.809
_cell_angle_beta   74.809
_cell_angle_gamma   67.933
_symmetry_Int_Tables_number   1
_cell_volume   458.291
_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
  Y  Y0  1  0.607  0.393  0.250  1.0
  Y  Y1  1  0.393  0.607  0.750  1.0
  Y  Y2  1  0.136  0.864  0.250  1.0
  Y  Y3  1  0.864  0.136  0.750  1.0
  Y  Y4  1  0.784  0.552  0.621  1.0
  Y  Y5  1  0.448  0.216  0.879  1.0
  Y  Y6  1  0.552  0.784  0.121  1.0
  Y  Y7  1  0.216  0.448  0.379  1.0
  Mo  Mo8  1  0.705  0.986  0.440  1.0
  Mo  Mo9  1  0.014  0.295  0.060  1.0
  Mo  Mo10  1  0.295  0.014  0.560  1.0
  Mo  Mo11  1  0.986  0.705  0.940  1.0
  O  O12  1  0.427  0.390  0.078  1.0
  O  O13  1  0.610  0.573  0.422  1.0
  O  O14  1  0.573  0.610  0.922  1.0
  O  O15  1  0.390  0.427  0.578  1.0
  O  O16  1  0.192  0.663  0.083  1.0
  O  O17  1  0.337  0.808  0.417  1.0
  O  O18  1  0.808  0.337  0.917  1.0
  O  O19  1  0.663  0.192  0.583  1.0
  O  O20  1  0.114  0.674  0.633  1.0
  O  O21  1  0.326  0.886  0.867  1.0
  O  O22  1  0.886  0.326  0.367  1.0
  O  O23  1  0.674  0.114  0.133  1.0
  O  O24  1  0.712  0.817  0.364  1.0
  O  O25  1  0.183  0.288  0.136  1.0
  O  O26  1  0.288  0.183  0.636  1.0
  O  O27  1  0.817  0.712  0.864  1.0
  O  O28  1  0.888  0.952  0.486  1.0
  O  O29  1  0.048  0.112  0.014  1.0
  O  O30  1  0.976  0.568  0.242  1.0
  O  O31  1  0.952  0.888  0.986  1.0
  O  O32  1  0.568  0.976  0.742  1.0
  O  O33  1  0.024  0.432  0.758  1.0
  O  O34  1  0.432  0.024  0.258  1.0
  O  O35  1  0.112  0.048  0.514  1.0
[/CIF]
.
The crystal structure described by Y2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Y sites. In the first Y site, Y(1) is bonded in a 8-coordinate geometry to two equivalent O(2), two equivalent O(3), and four equivalent O(1) atoms. In the second Y site, Y(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 Y site, Y(3) 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. 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 Y(1), one Y(2), one Y(3), and one Mo(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Y(3) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Y(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 Y(3) and one Mo(1) atom. In the fifth O site, O(1) is bonded to two equivalent Y(1) and two equivalent Y(3) atoms to form OY4 tetrahedra that share corners with two equivalent O(1)Y4 tetrahedra, corners with four equivalent O(2)Y3Mo tetrahedra,  an edgeedge with one O(2)Y3Mo tetrahedra, and edges with three equivalent O(1)Y4 tetrahedra. In the sixth O site, O(2) is bonded to one Y(1), one Y(2), one Y(3), and one Mo(1) atom to form OY3Mo tetrahedra that share corners with two equivalent O(2)Y3Mo tetrahedra, corners with four equivalent O(1)Y4 tetrahedra, and  an edgeedge with one O(1)Y4 tetrahedra. is represented by the CIF file [CIF]
data_Y2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.869
_cell_length_b   9.869
_cell_length_c   5.351
_cell_angle_alpha   74.809
_cell_angle_beta   74.809
_cell_angle_gamma   67.933
_symmetry_Int_Tables_number   1
_cell_volume   458.291
_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
  Y  Y0  1  0.607  0.393  0.250  1.0
  Y  Y1  1  0.393  0.607  0.750  1.0
  Y  Y2  1  0.136  0.864  0.250  1.0
  Y  Y3  1  0.864  0.136  0.750  1.0
  Y  Y4  1  0.784  0.552  0.621  1.0
  Y  Y5  1  0.448  0.216  0.879  1.0
  Y  Y6  1  0.552  0.784  0.121  1.0
  Y  Y7  1  0.216  0.448  0.379  1.0
  Mo  Mo8  1  0.705  0.986  0.440  1.0
  Mo  Mo9  1  0.014  0.295  0.060  1.0
  Mo  Mo10  1  0.295  0.014  0.560  1.0
  Mo  Mo11  1  0.986  0.705  0.940  1.0
  O  O12  1  0.427  0.390  0.078  1.0
  O  O13  1  0.610  0.573  0.422  1.0
  O  O14  1  0.573  0.610  0.922  1.0
  O  O15  1  0.390  0.427  0.578  1.0
  O  O16  1  0.192  0.663  0.083  1.0
  O  O17  1  0.337  0.808  0.417  1.0
  O  O18  1  0.808  0.337  0.917  1.0
  O  O19  1  0.663  0.192  0.583  1.0
  O  O20  1  0.114  0.674  0.633  1.0
  O  O21  1  0.326  0.886  0.867  1.0
  O  O22  1  0.886  0.326  0.367  1.0
  O  O23  1  0.674  0.114  0.133  1.0
  O  O24  1  0.712  0.817  0.364  1.0
  O  O25  1  0.183  0.288  0.136  1.0
  O  O26  1  0.288  0.183  0.636  1.0
  O  O27  1  0.817  0.712  0.864  1.0
  O  O28  1  0.888  0.952  0.486  1.0
  O  O29  1  0.048  0.112  0.014  1.0
  O  O30  1  0.976  0.568  0.242  1.0
  O  O31  1  0.952  0.888  0.986  1.0
  O  O32  1  0.568  0.976  0.742  1.0
  O  O33  1  0.024  0.432  0.758  1.0
  O  O34  1  0.432  0.024  0.258  1.0
  O  O35  1  0.112  0.048  0.514  1.0
[/CIF]
.