The structure described by MgNdCu(WO4)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NdO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-64°. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms 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 33-64°. Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one W(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Nd(1), and one W(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdMgCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   6.008
_cell_length_c   6.515
_cell_angle_alpha   104.163
_cell_angle_beta   92.609
_cell_angle_gamma   112.983
_symmetry_Int_Tables_number   1
_cell_volume   183.539
_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  0.371  0.899  0.275  1.0
  Mg  Mg1  1  0.371  0.898  0.775  1.0
  Cu  Cu2  1  0.871  0.898  0.774  1.0
  W  W3  1  0.093  0.365  0.613  1.0
  W  W4  1  0.649  0.432  0.936  1.0
  O  O5  1  0.863  0.140  0.373  1.0
  O  O6  1  0.339  0.645  0.505  1.0
  O  O7  1  0.829  0.193  0.818  1.0
  O  O8  1  0.384  0.610  0.922  1.0
  O  O9  1  0.404  0.152  0.045  1.0
  O  O10  1  0.880  0.657  0.176  1.0
  O  O11  1  0.359  0.187  0.628  1.0
  O  O12  1  0.913  0.604  0.731  1.0
[/CIF]
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The structure described by MgNdCu(WO4)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Nd(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NdO6 octahedra that share corners with eight equivalent W(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-64°. W(1) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms 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 33-64°. Cu(1) is bonded in a linear geometry to two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Nd(1) and one W(1) atom. In the second O site, O(2) is bonded in a T-shaped geometry to one Mg(1), one Nd(1), and one W(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent W(1), and one Cu(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Mg(1), one Nd(1), and two equivalent W(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_NdMgCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   6.008
_cell_length_c   6.515
_cell_angle_alpha   104.163
_cell_angle_beta   92.609
_cell_angle_gamma   112.983
_symmetry_Int_Tables_number   1
_cell_volume   183.539
_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  0.371  0.899  0.275  1.0
  Mg  Mg1  1  0.371  0.898  0.775  1.0
  Cu  Cu2  1  0.871  0.898  0.774  1.0
  W  W3  1  0.093  0.365  0.613  1.0
  W  W4  1  0.649  0.432  0.936  1.0
  O  O5  1  0.863  0.140  0.373  1.0
  O  O6  1  0.339  0.645  0.505  1.0
  O  O7  1  0.829  0.193  0.818  1.0
  O  O8  1  0.384  0.610  0.922  1.0
  O  O9  1  0.404  0.152  0.045  1.0
  O  O10  1  0.880  0.657  0.176  1.0
  O  O11  1  0.359  0.187  0.628  1.0
  O  O12  1  0.913  0.604  0.731  1.0
[/CIF]
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