The crystal structure described by MgNd4(Cu2O5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(10), one O(7), one O(9), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(10), one O(8), one O(9), two equivalent O(2), and two equivalent O(6) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one O(10), one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Nd site, Nd(4) is bonded in a 9-coordinate geometry to one O(7), one O(8), one O(9), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form distorted CuO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 6°. In the second Cu site, Cu(2) is bonded to one O(1), one O(4), one O(6), and two equivalent O(8) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-73°. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(10) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted square co-planar geometry to one O(2), one O(6), and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(3), two equivalent Nd(4), one Cu(1), and one Cu(2) atom to form ONd4Cu2 octahedra that share corners with three equivalent O(4)Nd2Mg2Cu2 pentagonal pyramids, corners with two equivalent O(10)Nd3Cu2 trigonal bipyramids, edges with two equivalent O(1)Nd4Cu2 octahedra, and  a faceface with one O(4)Nd2Mg2Cu2 pentagonal pyramid. In the second O site, O(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Cu(3), and one Cu(4) atom to form distorted ONd4Cu2 octahedra that share edges with two equivalent O(2)Nd4Cu2 octahedra and faces with two equivalent O(10)Nd3Cu2 trigonal bipyramids. In the third O site, O(3) is bonded in a 7-coordinate geometry to two equivalent Mg(1), two equivalent Nd(1), two equivalent Nd(3), and one Cu(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Nd(4), one Cu(1), and one Cu(2) atom to form distorted ONd2Mg2Cu2 pentagonal pyramids that share corners with three equivalent O(1)Nd4Cu2 octahedra, edges with two equivalent O(4)Nd2Mg2Cu2 pentagonal pyramids, and  a faceface with one O(1)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 34-53°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), one Cu(1), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Nd(4), one Cu(2), one Cu(3), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Mg(1), one Nd(1), one Nd(3), one Nd(4), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(1), one Nd(2), one Nd(4), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(4), and two equivalent Cu(4) atoms. In the tenth O site, O(10) is bonded to one Nd(1), one Nd(2), one Nd(3), and two equivalent Cu(3) atoms to form ONd3Cu2 trigonal bipyramids that share corners with two equivalent O(1)Nd4Cu2 octahedra, corners with two equivalent O(10)Nd3Cu2 trigonal bipyramids, and faces with two equivalent O(2)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles are 47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd4Mg(Cu2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.718
_cell_length_b   6.606
_cell_length_c   9.832
_cell_angle_alpha   88.509
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.381
_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  0.500  0.121  0.842  1.0
  Nd  Nd1  1  0.500  0.863  0.128  1.0
  Nd  Nd2  1  0.500  0.611  0.670  1.0
  Nd  Nd3  1  0.500  0.410  0.329  1.0
  Mg  Mg4  1  0.500  0.014  0.489  1.0
  Cu  Cu5  1  0.000  0.242  0.600  1.0
  Cu  Cu6  1  0.000  0.788  0.381  1.0
  Cu  Cu7  1  0.000  0.648  0.920  1.0
  Cu  Cu8  1  0.000  0.300  0.085  1.0
  O  O9  1  0.000  0.527  0.505  1.0
  O  O10  1  0.000  0.008  0.998  1.0
  O  O11  1  0.000  0.909  0.656  1.0
  O  O12  1  0.000  0.135  0.373  1.0
  O  O13  1  0.000  0.383  0.806  1.0
  O  O14  1  0.000  0.589  0.187  1.0
  O  O15  1  0.500  0.254  0.603  1.0
  O  O16  1  0.500  0.775  0.373  1.0
  O  O17  1  0.500  0.244  0.108  1.0
  O  O18  1  0.500  0.742  0.897  1.0
[/CIF]
.
The crystal structure described by MgNd4(Cu2O5)2 crystallizes in the monoclinic Pm space group. Mg(1) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. There are four inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 9-coordinate geometry to one O(10), one O(7), one O(9), two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms. In the second Nd site, Nd(2) is bonded in a 7-coordinate geometry to one O(10), one O(8), one O(9), two equivalent O(2), and two equivalent O(6) atoms. In the third Nd site, Nd(3) is bonded in a 8-coordinate geometry to one O(10), one O(7), two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms. In the fourth Nd site, Nd(4) is bonded in a 9-coordinate geometry to one O(7), one O(8), one O(9), two equivalent O(1), two equivalent O(4), and two equivalent O(6) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(7) atoms to form distorted CuO6 octahedra that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 6°. In the second Cu site, Cu(2) is bonded to one O(1), one O(4), one O(6), and two equivalent O(8) atoms to form distorted CuO5 trigonal bipyramids that share corners with two equivalent Cu(1)O6 octahedra and corners with two equivalent Cu(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 9-73°. In the third Cu site, Cu(3) is bonded in a 3-coordinate geometry to one O(2), one O(5), one O(6), and two equivalent O(10) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted square co-planar geometry to one O(2), one O(6), and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Nd(3), two equivalent Nd(4), one Cu(1), and one Cu(2) atom to form ONd4Cu2 octahedra that share corners with three equivalent O(4)Nd2Mg2Cu2 pentagonal pyramids, corners with two equivalent O(10)Nd3Cu2 trigonal bipyramids, edges with two equivalent O(1)Nd4Cu2 octahedra, and  a faceface with one O(4)Nd2Mg2Cu2 pentagonal pyramid. In the second O site, O(2) is bonded to two equivalent Nd(1), two equivalent Nd(2), one Cu(3), and one Cu(4) atom to form distorted ONd4Cu2 octahedra that share edges with two equivalent O(2)Nd4Cu2 octahedra and faces with two equivalent O(10)Nd3Cu2 trigonal bipyramids. In the third O site, O(3) is bonded in a 7-coordinate geometry to two equivalent Mg(1), two equivalent Nd(1), two equivalent Nd(3), and one Cu(1) atom. In the fourth O site, O(4) is bonded to two equivalent Mg(1), two equivalent Nd(4), one Cu(1), and one Cu(2) atom to form distorted ONd2Mg2Cu2 pentagonal pyramids that share corners with three equivalent O(1)Nd4Cu2 octahedra, edges with two equivalent O(4)Nd2Mg2Cu2 pentagonal pyramids, and  a faceface with one O(1)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 34-53°. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Nd(1), two equivalent Nd(3), one Cu(1), and one Cu(3) atom. In the sixth O site, O(6) is bonded in a 7-coordinate geometry to two equivalent Nd(2), two equivalent Nd(4), one Cu(2), one Cu(3), and one Cu(4) atom. In the seventh O site, O(7) is bonded in a 6-coordinate geometry to one Mg(1), one Nd(1), one Nd(3), one Nd(4), and two equivalent Cu(1) atoms. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one Mg(1), one Nd(2), one Nd(4), and two equivalent Cu(2) atoms. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Nd(1), one Nd(2), one Nd(4), and two equivalent Cu(4) atoms. In the tenth O site, O(10) is bonded to one Nd(1), one Nd(2), one Nd(3), and two equivalent Cu(3) atoms to form ONd3Cu2 trigonal bipyramids that share corners with two equivalent O(1)Nd4Cu2 octahedra, corners with two equivalent O(10)Nd3Cu2 trigonal bipyramids, and faces with two equivalent O(2)Nd4Cu2 octahedra. The corner-sharing octahedral tilt angles are 47°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Nd4Mg(Cu2O5)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.718
_cell_length_b   6.606
_cell_length_c   9.832
_cell_angle_alpha   88.509
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   241.381
_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  0.500  0.121  0.842  1.0
  Nd  Nd1  1  0.500  0.863  0.128  1.0
  Nd  Nd2  1  0.500  0.611  0.670  1.0
  Nd  Nd3  1  0.500  0.410  0.329  1.0
  Mg  Mg4  1  0.500  0.014  0.489  1.0
  Cu  Cu5  1  0.000  0.242  0.600  1.0
  Cu  Cu6  1  0.000  0.788  0.381  1.0
  Cu  Cu7  1  0.000  0.648  0.920  1.0
  Cu  Cu8  1  0.000  0.300  0.085  1.0
  O  O9  1  0.000  0.527  0.505  1.0
  O  O10  1  0.000  0.008  0.998  1.0
  O  O11  1  0.000  0.909  0.656  1.0
  O  O12  1  0.000  0.135  0.373  1.0
  O  O13  1  0.000  0.383  0.806  1.0
  O  O14  1  0.000  0.589  0.187  1.0
  O  O15  1  0.500  0.254  0.603  1.0
  O  O16  1  0.500  0.775  0.373  1.0
  O  O17  1  0.500  0.244  0.108  1.0
  O  O18  1  0.500  0.742  0.897  1.0
[/CIF]
.