The material described by Lu2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the second Lu site, Lu(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Lu(3) and one Mo(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Lu(3) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one Mo(1) atom. In the fourth O site, O(6) is bonded to two equivalent Lu(2) and two equivalent Lu(3) atoms to form OLu4 tetrahedra that share corners with two equivalent O(6)Lu4 tetrahedra, corners with four equivalent O(1)Lu3Mo tetrahedra,  an edgeedge with one O(1)Lu3Mo tetrahedra, and edges with three equivalent O(6)Lu4 tetrahedra. In the fifth O site, O(1) is bonded to one Lu(1), one Lu(2), one Lu(3), and one Mo(1) atom to form OLu3Mo tetrahedra that share corners with two equivalent O(1)Lu3Mo tetrahedra, corners with four equivalent O(6)Lu4 tetrahedra, and  an edgeedge with one O(6)Lu4 tetrahedra. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Lu(1), one Lu(2), one Lu(3), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Lu2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.677
_cell_length_b   9.677
_cell_length_c   5.219
_cell_angle_alpha   74.670
_cell_angle_beta   74.670
_cell_angle_gamma   67.623
_symmetry_Int_Tables_number   1
_cell_volume   428.437
_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
  Lu  Lu0  1  0.639  0.361  0.750  1.0
  Lu  Lu1  1  0.361  0.639  0.250  1.0
  Lu  Lu2  1  0.105  0.895  0.750  1.0
  Lu  Lu3  1  0.895  0.105  0.250  1.0
  Lu  Lu4  1  0.718  0.951  0.876  1.0
  Lu  Lu5  1  0.282  0.049  0.124  1.0
  Lu  Lu6  1  0.049  0.282  0.624  1.0
  Lu  Lu7  1  0.951  0.718  0.376  1.0
  Mo  Mo8  1  0.516  0.795  0.564  1.0
  Mo  Mo9  1  0.484  0.205  0.436  1.0
  Mo  Mo10  1  0.205  0.484  0.936  1.0
  Mo  Mo11  1  0.795  0.516  0.064  1.0
  O  O12  1  0.696  0.163  0.580  1.0
  O  O13  1  0.304  0.837  0.420  1.0
  O  O14  1  0.837  0.304  0.920  1.0
  O  O15  1  0.163  0.696  0.080  1.0
  O  O16  1  0.386  0.826  0.878  1.0
  O  O17  1  0.614  0.174  0.122  1.0
  O  O18  1  0.174  0.614  0.622  1.0
  O  O19  1  0.826  0.386  0.378  1.0
  O  O20  1  0.689  0.788  0.640  1.0
  O  O21  1  0.311  0.212  0.360  1.0
  O  O22  1  0.212  0.311  0.860  1.0
  O  O23  1  0.788  0.689  0.140  1.0
  O  O24  1  0.476  0.066  0.746  1.0
  O  O25  1  0.524  0.934  0.254  1.0
  O  O26  1  0.934  0.524  0.754  1.0
  O  O27  1  0.066  0.476  0.246  1.0
  O  O28  1  0.550  0.609  0.513  1.0
  O  O29  1  0.450  0.391  0.487  1.0
  O  O30  1  0.391  0.450  0.987  1.0
  O  O31  1  0.609  0.550  0.013  1.0
  O  O32  1  0.889  0.929  0.079  1.0
  O  O33  1  0.111  0.071  0.921  1.0
  O  O34  1  0.071  0.111  0.421  1.0
  O  O35  1  0.929  0.889  0.579  1.0
[/CIF]
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The material described by Lu2MoO6 crystallizes in the monoclinic C2/c space group. There are three inequivalent Lu sites. In the first Lu site, Lu(1) is bonded in a 8-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(5) atoms. In the second Lu site, Lu(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(2), and four equivalent O(6) atoms. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(6) atoms. Mo(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(5) atom. There are six inequivalent O sites. In the first O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Lu(3) and one Mo(1) atom. In the second O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Lu(3) and one Mo(1) atom. In the third O site, O(5) is bonded in a 3-coordinate geometry to two equivalent Lu(1) and one Mo(1) atom. In the fourth O site, O(6) is bonded to two equivalent Lu(2) and two equivalent Lu(3) atoms to form OLu4 tetrahedra that share corners with two equivalent O(6)Lu4 tetrahedra, corners with four equivalent O(1)Lu3Mo tetrahedra,  an edgeedge with one O(1)Lu3Mo tetrahedra, and edges with three equivalent O(6)Lu4 tetrahedra. In the fifth O site, O(1) is bonded to one Lu(1), one Lu(2), one Lu(3), and one Mo(1) atom to form OLu3Mo tetrahedra that share corners with two equivalent O(1)Lu3Mo tetrahedra, corners with four equivalent O(6)Lu4 tetrahedra, and  an edgeedge with one O(6)Lu4 tetrahedra. In the sixth O site, O(2) is bonded in a 4-coordinate geometry to one Lu(1), one Lu(2), one Lu(3), and one Mo(1) atom. is represented by the CIF card [CIF]
data_Lu2MoO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.677
_cell_length_b   9.677
_cell_length_c   5.219
_cell_angle_alpha   74.670
_cell_angle_beta   74.670
_cell_angle_gamma   67.623
_symmetry_Int_Tables_number   1
_cell_volume   428.437
_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
  Lu  Lu0  1  0.639  0.361  0.750  1.0
  Lu  Lu1  1  0.361  0.639  0.250  1.0
  Lu  Lu2  1  0.105  0.895  0.750  1.0
  Lu  Lu3  1  0.895  0.105  0.250  1.0
  Lu  Lu4  1  0.718  0.951  0.876  1.0
  Lu  Lu5  1  0.282  0.049  0.124  1.0
  Lu  Lu6  1  0.049  0.282  0.624  1.0
  Lu  Lu7  1  0.951  0.718  0.376  1.0
  Mo  Mo8  1  0.516  0.795  0.564  1.0
  Mo  Mo9  1  0.484  0.205  0.436  1.0
  Mo  Mo10  1  0.205  0.484  0.936  1.0
  Mo  Mo11  1  0.795  0.516  0.064  1.0
  O  O12  1  0.696  0.163  0.580  1.0
  O  O13  1  0.304  0.837  0.420  1.0
  O  O14  1  0.837  0.304  0.920  1.0
  O  O15  1  0.163  0.696  0.080  1.0
  O  O16  1  0.386  0.826  0.878  1.0
  O  O17  1  0.614  0.174  0.122  1.0
  O  O18  1  0.174  0.614  0.622  1.0
  O  O19  1  0.826  0.386  0.378  1.0
  O  O20  1  0.689  0.788  0.640  1.0
  O  O21  1  0.311  0.212  0.360  1.0
  O  O22  1  0.212  0.311  0.860  1.0
  O  O23  1  0.788  0.689  0.140  1.0
  O  O24  1  0.476  0.066  0.746  1.0
  O  O25  1  0.524  0.934  0.254  1.0
  O  O26  1  0.934  0.524  0.754  1.0
  O  O27  1  0.066  0.476  0.246  1.0
  O  O28  1  0.550  0.609  0.513  1.0
  O  O29  1  0.450  0.391  0.487  1.0
  O  O30  1  0.391  0.450  0.987  1.0
  O  O31  1  0.609  0.550  0.013  1.0
  O  O32  1  0.889  0.929  0.079  1.0
  O  O33  1  0.111  0.071  0.921  1.0
  O  O34  1  0.071  0.111  0.421  1.0
  O  O35  1  0.929  0.889  0.579  1.0
[/CIF]
.