The compound described by MgNd4Ir crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms to form a mixture of face and corner-sharing MgNd9Mg3 cuboctahedra. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Ir(1) atoms. In the second Nd site, Nd(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms. is represented by the CIF card [CIF]
data_Nd4MgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.013
_cell_length_b   10.013
_cell_length_c   10.013
_cell_angle_alpha   59.997
_cell_angle_beta   59.997
_cell_angle_gamma   59.997
_symmetry_Int_Tables_number   1
_cell_volume   709.743
_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  0.654  0.037  0.654  1.0
  Nd  Nd1  1  0.812  0.188  0.812  1.0
  Nd  Nd2  1  0.188  0.812  0.812  1.0
  Nd  Nd3  1  0.061  0.439  0.439  1.0
  Nd  Nd4  1  0.061  0.061  0.439  1.0
  Nd  Nd5  1  0.439  0.061  0.439  1.0
  Nd  Nd6  1  0.812  0.188  0.188  1.0
  Nd  Nd7  1  0.439  0.061  0.061  1.0
  Nd  Nd8  1  0.188  0.812  0.188  1.0
  Nd  Nd9  1  0.439  0.439  0.061  1.0
  Nd  Nd10  1  0.812  0.812  0.188  1.0
  Nd  Nd11  1  0.188  0.188  0.812  1.0
  Nd  Nd12  1  0.037  0.654  0.654  1.0
  Nd  Nd13  1  0.654  0.654  0.654  1.0
  Nd  Nd14  1  0.061  0.439  0.061  1.0
  Nd  Nd15  1  0.654  0.654  0.037  1.0
  Mg  Mg16  1  0.421  0.421  0.736  1.0
  Mg  Mg17  1  0.736  0.421  0.421  1.0
  Mg  Mg18  1  0.421  0.736  0.421  1.0
  Mg  Mg19  1  0.421  0.421  0.421  1.0
  Ir  Ir20  1  0.859  0.859  0.859  1.0
  Ir  Ir21  1  0.859  0.424  0.859  1.0
  Ir  Ir22  1  0.859  0.859  0.424  1.0
  Ir  Ir23  1  0.424  0.859  0.859  1.0
[/CIF]
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The compound described by MgNd4Ir crystallizes in the cubic F-43m space group. Mg(1) is bonded to three equivalent Mg(1), three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms to form a mixture of face and corner-sharing MgNd9Mg3 cuboctahedra. There are three inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 3-coordinate geometry to three equivalent Mg(1) and three equivalent Ir(1) atoms. In the second Nd site, Nd(2) is bonded in a bent 150 degrees geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. In the third Nd site, Nd(3) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Ir(1) atoms. Ir(1) is bonded in a 6-coordinate geometry to three equivalent Nd(1), three equivalent Nd(2), and three equivalent Nd(3) atoms. is represented by the CIF card [CIF]
data_Nd4MgIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.013
_cell_length_b   10.013
_cell_length_c   10.013
_cell_angle_alpha   59.997
_cell_angle_beta   59.997
_cell_angle_gamma   59.997
_symmetry_Int_Tables_number   1
_cell_volume   709.743
_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  0.654  0.037  0.654  1.0
  Nd  Nd1  1  0.812  0.188  0.812  1.0
  Nd  Nd2  1  0.188  0.812  0.812  1.0
  Nd  Nd3  1  0.061  0.439  0.439  1.0
  Nd  Nd4  1  0.061  0.061  0.439  1.0
  Nd  Nd5  1  0.439  0.061  0.439  1.0
  Nd  Nd6  1  0.812  0.188  0.188  1.0
  Nd  Nd7  1  0.439  0.061  0.061  1.0
  Nd  Nd8  1  0.188  0.812  0.188  1.0
  Nd  Nd9  1  0.439  0.439  0.061  1.0
  Nd  Nd10  1  0.812  0.812  0.188  1.0
  Nd  Nd11  1  0.188  0.188  0.812  1.0
  Nd  Nd12  1  0.037  0.654  0.654  1.0
  Nd  Nd13  1  0.654  0.654  0.654  1.0
  Nd  Nd14  1  0.061  0.439  0.061  1.0
  Nd  Nd15  1  0.654  0.654  0.037  1.0
  Mg  Mg16  1  0.421  0.421  0.736  1.0
  Mg  Mg17  1  0.736  0.421  0.421  1.0
  Mg  Mg18  1  0.421  0.736  0.421  1.0
  Mg  Mg19  1  0.421  0.421  0.421  1.0
  Ir  Ir20  1  0.859  0.859  0.859  1.0
  Ir  Ir21  1  0.859  0.424  0.859  1.0
  Ir  Ir22  1  0.859  0.859  0.424  1.0
  Ir  Ir23  1  0.424  0.859  0.859  1.0
[/CIF]
.