The material described by Nd2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Nd site, Nd(2) is bonded to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent W(1)O6 octahedra, edges with two equivalent Nd(2)O7 hexagonal pyramids, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with three equivalent Nd(2)O7 hexagonal pyramids and edges with two equivalent Nd(2)O7 hexagonal pyramids. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one W(1) atom. In the second O site, O(1) is bonded to one Nd(1), two equivalent Nd(2), and one W(1) atom to form a mixture of corner and edge-sharing ONd3W tetrahedra. In the third O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing ONd3W tetrahedra. In the fourth O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Nd(1) and one W(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one W(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one W(1) atom. is represented by the CIF file [CIF]
data_Nd2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   9.317
_cell_length_c   10.200
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   512.786
_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
  Nd  Nd0  1  0.475  0.604  0.537  1.0
  Nd  Nd1  1  0.975  0.896  0.463  1.0
  Nd  Nd2  1  0.525  0.104  0.963  1.0
  Nd  Nd3  1  0.025  0.396  0.037  1.0
  Nd  Nd4  1  0.969  0.781  0.869  1.0
  Nd  Nd5  1  0.469  0.719  0.131  1.0
  Nd  Nd6  1  0.031  0.281  0.631  1.0
  Nd  Nd7  1  0.531  0.219  0.369  1.0
  W  W8  1  0.458  0.996  0.649  1.0
  W  W9  1  0.958  0.504  0.351  1.0
  W  W10  1  0.542  0.496  0.851  1.0
  W  W11  1  0.042  0.004  0.149  1.0
  O  O12  1  0.248  0.090  0.510  1.0
  O  O13  1  0.748  0.410  0.490  1.0
  O  O14  1  0.752  0.590  0.990  1.0
  O  O15  1  0.252  0.910  0.010  1.0
  O  O16  1  0.720  0.110  0.565  1.0
  O  O17  1  0.220  0.390  0.435  1.0
  O  O18  1  0.280  0.610  0.935  1.0
  O  O19  1  0.780  0.890  0.065  1.0
  O  O20  1  0.567  0.850  0.525  1.0
  O  O21  1  0.067  0.650  0.475  1.0
  O  O22  1  0.433  0.350  0.975  1.0
  O  O23  1  0.933  0.150  0.025  1.0
  O  O24  1  0.185  0.863  0.260  1.0
  O  O25  1  0.685  0.637  0.740  1.0
  O  O26  1  0.815  0.363  0.240  1.0
  O  O27  1  0.315  0.137  0.760  1.0
  O  O28  1  0.830  0.050  0.286  1.0
  O  O29  1  0.330  0.450  0.714  1.0
  O  O30  1  0.170  0.550  0.214  1.0
  O  O31  1  0.670  0.950  0.786  1.0
  O  O32  1  0.308  0.136  0.178  1.0
  O  O33  1  0.808  0.364  0.822  1.0
  O  O34  1  0.692  0.636  0.322  1.0
  O  O35  1  0.192  0.864  0.678  1.0
[/CIF]
.
The material described by Nd2WO6 crystallizes in the orthorhombic P2_12_12_1 space group. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 7-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one O(6), and two equivalent O(3) atoms. In the second Nd site, Nd(2) is bonded to one O(4), one O(5), one O(6), two equivalent O(1), and two equivalent O(2) atoms to form distorted NdO7 hexagonal pyramids that share corners with three equivalent W(1)O6 octahedra, edges with two equivalent Nd(2)O7 hexagonal pyramids, and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-45°. W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form WO6 octahedra that share corners with three equivalent Nd(2)O7 hexagonal pyramids and edges with two equivalent Nd(2)O7 hexagonal pyramids. There are six inequivalent O sites. In the first O site, O(6) is bonded in a 3-coordinate geometry to one Nd(1), one Nd(2), and one W(1) atom. In the second O site, O(1) is bonded to one Nd(1), two equivalent Nd(2), and one W(1) atom to form a mixture of corner and edge-sharing ONd3W tetrahedra. In the third O site, O(2) is bonded to one Nd(1), two equivalent Nd(2), and one W(1) atom to form a mixture of distorted corner and edge-sharing ONd3W tetrahedra. In the fourth O site, O(3) is bonded in a trigonal non-coplanar geometry to two equivalent Nd(1) and one W(1) atom. In the fifth O site, O(4) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one W(1) atom. In the sixth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Nd(1), one Nd(2), and one W(1) atom. is represented by the CIF file [CIF]
data_Nd2WO6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.396
_cell_length_b   9.317
_cell_length_c   10.200
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   512.786
_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
  Nd  Nd0  1  0.475  0.604  0.537  1.0
  Nd  Nd1  1  0.975  0.896  0.463  1.0
  Nd  Nd2  1  0.525  0.104  0.963  1.0
  Nd  Nd3  1  0.025  0.396  0.037  1.0
  Nd  Nd4  1  0.969  0.781  0.869  1.0
  Nd  Nd5  1  0.469  0.719  0.131  1.0
  Nd  Nd6  1  0.031  0.281  0.631  1.0
  Nd  Nd7  1  0.531  0.219  0.369  1.0
  W  W8  1  0.458  0.996  0.649  1.0
  W  W9  1  0.958  0.504  0.351  1.0
  W  W10  1  0.542  0.496  0.851  1.0
  W  W11  1  0.042  0.004  0.149  1.0
  O  O12  1  0.248  0.090  0.510  1.0
  O  O13  1  0.748  0.410  0.490  1.0
  O  O14  1  0.752  0.590  0.990  1.0
  O  O15  1  0.252  0.910  0.010  1.0
  O  O16  1  0.720  0.110  0.565  1.0
  O  O17  1  0.220  0.390  0.435  1.0
  O  O18  1  0.280  0.610  0.935  1.0
  O  O19  1  0.780  0.890  0.065  1.0
  O  O20  1  0.567  0.850  0.525  1.0
  O  O21  1  0.067  0.650  0.475  1.0
  O  O22  1  0.433  0.350  0.975  1.0
  O  O23  1  0.933  0.150  0.025  1.0
  O  O24  1  0.185  0.863  0.260  1.0
  O  O25  1  0.685  0.637  0.740  1.0
  O  O26  1  0.815  0.363  0.240  1.0
  O  O27  1  0.315  0.137  0.760  1.0
  O  O28  1  0.830  0.050  0.286  1.0
  O  O29  1  0.330  0.450  0.714  1.0
  O  O30  1  0.170  0.550  0.214  1.0
  O  O31  1  0.670  0.950  0.786  1.0
  O  O32  1  0.308  0.136  0.178  1.0
  O  O33  1  0.808  0.364  0.822  1.0
  O  O34  1  0.692  0.636  0.322  1.0
  O  O35  1  0.192  0.864  0.678  1.0
[/CIF]
.