The material structure described by MgNdCu(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) 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 MgO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, edges with two equivalent Nd(1)O6 octahedra, and  a faceface with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. Nd(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form NdO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, 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 42-56°. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Nd(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. Cu(1) is bonded in a 3-coordinate geometry to one O(2), 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 distorted trigonal planar geometry to one Mg(1), one Nd(1), and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nd(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Nd(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nd(1), and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Nd(1), one W(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Nd(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_NdMgCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   6.049
_cell_length_c   6.176
_cell_angle_alpha   107.541
_cell_angle_beta   89.361
_cell_angle_gamma   117.514
_symmetry_Int_Tables_number   1
_cell_volume   169.246
_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  0.397  0.910  0.335  1.0
  Mg  Mg1  1  0.930  0.997  0.039  1.0
  Cu  Cu2  1  0.797  0.652  0.479  1.0
  W  W3  1  0.132  0.419  0.667  1.0
  W  W4  1  0.610  0.396  0.952  1.0
  O  O5  1  0.876  0.186  0.368  1.0
  O  O6  1  0.403  0.646  0.534  1.0
  O  O7  1  0.870  0.222  0.867  1.0
  O  O8  1  0.449  0.646  0.976  1.0
  O  O9  1  0.362  0.160  0.089  1.0
  O  O10  1  0.911  0.707  0.199  1.0
  O  O11  1  0.327  0.198  0.652  1.0
  O  O12  1  0.891  0.615  0.760  1.0
[/CIF]
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The material structure described by MgNdCu(WO4)2 crystallizes in the triclinic P1 space group. Mg(1) 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 MgO6 octahedra that share corners with two equivalent W(2)O6 octahedra, corners with four equivalent W(1)O6 octahedra, edges with two equivalent Nd(1)O6 octahedra, and  a faceface with one W(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 42-55°. Nd(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(7) atom to form NdO6 octahedra that share corners with four equivalent W(1)O6 octahedra, corners with four equivalent W(2)O6 octahedra, and edges with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. There are two inequivalent W sites. In the first W site, W(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form WO6 octahedra that share corners with four equivalent Mg(1)O6 octahedra, 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 42-56°. In the second W site, W(2) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form distorted WO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with four equivalent Nd(1)O6 octahedra, edges with two equivalent W(1)O6 octahedra, and  a faceface with one Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-60°. Cu(1) is bonded in a 3-coordinate geometry to one O(2), 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 distorted trigonal planar geometry to one Mg(1), one Nd(1), and one W(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Nd(1), one W(1), and one Cu(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mg(1), one W(1), and one W(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal pyramidal geometry to one Mg(1), one Nd(1), one W(1), and one W(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mg(1), one Nd(1), and one W(2) atom. In the sixth O site, O(6) is bonded in a distorted see-saw-like geometry to one Mg(1), one Nd(1), one W(2), and one Cu(1) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Nd(1), one W(1), and one W(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Mg(1), one W(1), one W(2), and one Cu(1) atom. is represented by the CIF card [CIF]
data_NdMgCu(WO4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.420
_cell_length_b   6.049
_cell_length_c   6.176
_cell_angle_alpha   107.541
_cell_angle_beta   89.361
_cell_angle_gamma   117.514
_symmetry_Int_Tables_number   1
_cell_volume   169.246
_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  0.397  0.910  0.335  1.0
  Mg  Mg1  1  0.930  0.997  0.039  1.0
  Cu  Cu2  1  0.797  0.652  0.479  1.0
  W  W3  1  0.132  0.419  0.667  1.0
  W  W4  1  0.610  0.396  0.952  1.0
  O  O5  1  0.876  0.186  0.368  1.0
  O  O6  1  0.403  0.646  0.534  1.0
  O  O7  1  0.870  0.222  0.867  1.0
  O  O8  1  0.449  0.646  0.976  1.0
  O  O9  1  0.362  0.160  0.089  1.0
  O  O10  1  0.911  0.707  0.199  1.0
  O  O11  1  0.327  0.198  0.652  1.0
  O  O12  1  0.891  0.615  0.760  1.0
[/CIF]
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