The material structure described by NdCu(WO4)2 crystallizes in the triclinic P1 space group. Nd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form NdO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Nd(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-55°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Nd(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. Cu(1) is bonded in a linear geometry to one O(6) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nd(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Nd(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nd(1) and one W(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(1) atom. is represented by the CIF file [CIF]
data_NdCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   6.100
_cell_length_c   6.323
_cell_angle_alpha   108.427
_cell_angle_beta   92.548
_cell_angle_gamma   112.156
_symmetry_Int_Tables_number   1
_cell_volume   171.451
_cell_formula_units_Z   1
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  0.367  0.900  0.273  1.0
  Cu  Cu1  1  0.862  0.893  0.766  1.0
  W  W2  1  0.623  0.385  0.936  1.0
  W  W3  1  0.123  0.414  0.615  1.0
  O  O4  1  0.356  0.217  0.610  1.0
  O  O5  1  0.871  0.628  0.192  1.0
  O  O6  1  0.871  0.163  0.365  1.0
  O  O7  1  0.396  0.587  0.939  1.0
  O  O8  1  0.341  0.643  0.499  1.0
  O  O9  1  0.846  0.201  0.803  1.0
  O  O10  1  0.397  0.152  0.044  1.0
  O  O11  1  0.903  0.600  0.752  1.0
[/CIF]
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The material structure described by NdCu(WO4)2 crystallizes in the triclinic P1 space group. Nd(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(7) atom to form NdO6 octahedra that share corners with four equivalent W(1)O6 octahedra and corners with four equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(4), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Nd(1)O6 octahedra and edges with two equivalent W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-55°. In the second W site, W(2) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form distorted WO6 octahedra that share corners with four equivalent Nd(1)O6 octahedra and edges with two equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-56°. Cu(1) is bonded in a linear geometry to one O(6) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Nd(1), one W(1), and one W(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Nd(1) and one W(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one W(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Nd(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Nd(1) and one W(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one W(1), one W(2), and one Cu(1) atom. is represented by the CIF file [CIF]
data_NdCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.149
_cell_length_b   6.100
_cell_length_c   6.323
_cell_angle_alpha   108.427
_cell_angle_beta   92.548
_cell_angle_gamma   112.156
_symmetry_Int_Tables_number   1
_cell_volume   171.451
_cell_formula_units_Z   1
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  0.367  0.900  0.273  1.0
  Cu  Cu1  1  0.862  0.893  0.766  1.0
  W  W2  1  0.623  0.385  0.936  1.0
  W  W3  1  0.123  0.414  0.615  1.0
  O  O4  1  0.356  0.217  0.610  1.0
  O  O5  1  0.871  0.628  0.192  1.0
  O  O6  1  0.871  0.163  0.365  1.0
  O  O7  1  0.396  0.587  0.939  1.0
  O  O8  1  0.341  0.643  0.499  1.0
  O  O9  1  0.846  0.201  0.803  1.0
  O  O10  1  0.397  0.152  0.044  1.0
  O  O11  1  0.903  0.600  0.752  1.0
[/CIF]
.