The material described by Lu2WO6 crystallizes in the monoclinic P2/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), two equivalent O(3), and two equivalent O(5) atoms. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. W(1) is bonded in a distorted octahedral geometry to one O(1), 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(1) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one W(1) atom. In the second O site, O(2) is bonded to one Lu(1), two equivalent Lu(2), and one W(1) atom to form a mixture of corner and edge-sharing OLu3W tetrahedra. In the third O site, O(3) is bonded to one Lu(1), one Lu(2), one Lu(3), and one W(1) atom to form a mixture of distorted corner and edge-sharing OLu3W tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Lu(2), one Lu(3), and one W(1) atom. In the fifth O site, O(5) is bonded to one Lu(1), one Lu(2), one Lu(3), and one W(1) atom to form a mixture of distorted corner and edge-sharing OLu3W tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Lu(2), one Lu(3), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.227
_cell_length_b   7.491
_cell_length_c   11.144
_cell_angle_alpha   75.140
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   421.731
_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  0.260  0.000  0.750  1.0
  Lu  Lu1  1  0.183  0.796  0.079  1.0
  Lu  Lu2  1  0.183  0.204  0.421  1.0
  Lu  Lu3  1  0.740  0.000  0.250  1.0
  Lu  Lu4  1  0.316  0.500  0.750  1.0
  Lu  Lu5  1  0.817  0.204  0.921  1.0
  Lu  Lu6  1  0.817  0.796  0.579  1.0
  Lu  Lu7  1  0.684  0.500  0.250  1.0
  W  W8  1  0.744  0.722  0.886  1.0
  W  W9  1  0.256  0.722  0.386  1.0
  W  W10  1  0.744  0.278  0.614  1.0
  W  W11  1  0.256  0.278  0.114  1.0
  O  O12  1  0.537  0.152  0.069  1.0
  O  O13  1  0.040  0.059  0.104  1.0
  O  O14  1  0.021  0.711  0.770  1.0
  O  O15  1  0.463  0.152  0.569  1.0
  O  O16  1  0.359  0.486  0.385  1.0
  O  O17  1  0.960  0.059  0.604  1.0
  O  O18  1  0.537  0.791  0.725  1.0
  O  O19  1  0.463  0.791  0.225  1.0
  O  O20  1  0.152  0.632  0.551  1.0
  O  O21  1  0.040  0.941  0.396  1.0
  O  O22  1  0.463  0.848  0.931  1.0
  O  O23  1  0.463  0.209  0.275  1.0
  O  O24  1  0.848  0.368  0.449  1.0
  O  O25  1  0.641  0.486  0.885  1.0
  O  O26  1  0.359  0.514  0.115  1.0
  O  O27  1  0.960  0.941  0.896  1.0
  O  O28  1  0.537  0.848  0.431  1.0
  O  O29  1  0.979  0.289  0.230  1.0
  O  O30  1  0.537  0.209  0.775  1.0
  O  O31  1  0.848  0.632  0.051  1.0
  O  O32  1  0.021  0.289  0.730  1.0
  O  O33  1  0.152  0.368  0.949  1.0
  O  O34  1  0.979  0.711  0.270  1.0
  O  O35  1  0.641  0.514  0.615  1.0
[/CIF]
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The material described by Lu2WO6 crystallizes in the monoclinic P2/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), two equivalent O(3), and two equivalent O(5) atoms. In the second Lu site, Lu(2) is bonded in a 7-coordinate geometry to one O(1), one O(3), one O(4), one O(5), one O(6), and two equivalent O(2) atoms. In the third Lu site, Lu(3) is bonded in a 8-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), and two equivalent O(6) atoms. W(1) is bonded in a distorted octahedral geometry to one O(1), 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(1) is bonded in a distorted trigonal non-coplanar geometry to one Lu(1), one Lu(2), and one W(1) atom. In the second O site, O(2) is bonded to one Lu(1), two equivalent Lu(2), and one W(1) atom to form a mixture of corner and edge-sharing OLu3W tetrahedra. In the third O site, O(3) is bonded to one Lu(1), one Lu(2), one Lu(3), and one W(1) atom to form a mixture of distorted corner and edge-sharing OLu3W tetrahedra. In the fourth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Lu(2), one Lu(3), and one W(1) atom. In the fifth O site, O(5) is bonded to one Lu(1), one Lu(2), one Lu(3), and one W(1) atom to form a mixture of distorted corner and edge-sharing OLu3W tetrahedra. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Lu(2), one Lu(3), and one W(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_Lu2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.227
_cell_length_b   7.491
_cell_length_c   11.144
_cell_angle_alpha   75.140
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   421.731
_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  0.260  0.000  0.750  1.0
  Lu  Lu1  1  0.183  0.796  0.079  1.0
  Lu  Lu2  1  0.183  0.204  0.421  1.0
  Lu  Lu3  1  0.740  0.000  0.250  1.0
  Lu  Lu4  1  0.316  0.500  0.750  1.0
  Lu  Lu5  1  0.817  0.204  0.921  1.0
  Lu  Lu6  1  0.817  0.796  0.579  1.0
  Lu  Lu7  1  0.684  0.500  0.250  1.0
  W  W8  1  0.744  0.722  0.886  1.0
  W  W9  1  0.256  0.722  0.386  1.0
  W  W10  1  0.744  0.278  0.614  1.0
  W  W11  1  0.256  0.278  0.114  1.0
  O  O12  1  0.537  0.152  0.069  1.0
  O  O13  1  0.040  0.059  0.104  1.0
  O  O14  1  0.021  0.711  0.770  1.0
  O  O15  1  0.463  0.152  0.569  1.0
  O  O16  1  0.359  0.486  0.385  1.0
  O  O17  1  0.960  0.059  0.604  1.0
  O  O18  1  0.537  0.791  0.725  1.0
  O  O19  1  0.463  0.791  0.225  1.0
  O  O20  1  0.152  0.632  0.551  1.0
  O  O21  1  0.040  0.941  0.396  1.0
  O  O22  1  0.463  0.848  0.931  1.0
  O  O23  1  0.463  0.209  0.275  1.0
  O  O24  1  0.848  0.368  0.449  1.0
  O  O25  1  0.641  0.486  0.885  1.0
  O  O26  1  0.359  0.514  0.115  1.0
  O  O27  1  0.960  0.941  0.896  1.0
  O  O28  1  0.537  0.848  0.431  1.0
  O  O29  1  0.979  0.289  0.230  1.0
  O  O30  1  0.537  0.209  0.775  1.0
  O  O31  1  0.848  0.632  0.051  1.0
  O  O32  1  0.021  0.289  0.730  1.0
  O  O33  1  0.152  0.368  0.949  1.0
  O  O34  1  0.979  0.711  0.270  1.0
  O  O35  1  0.641  0.514  0.615  1.0
[/CIF]
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