The material described by MgNd5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six equivalent Nd(1) and six equivalent Nd(2) atoms to form MgNd12 cuboctahedra that share corners with six equivalent Mg(1)Nd12 cuboctahedra, corners with twelve equivalent Nd(2)Nd9Mg3 cuboctahedra, edges with six equivalent Mg(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(2)Nd9Mg3 cuboctahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), four equivalent Nd(1), and four equivalent Nd(2) atoms. In the second Nd site, Nd(2) is bonded to three equivalent Mg(1), three equivalent Nd(2), and six equivalent Nd(1) atoms to form distorted NdNd9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Nd12 cuboctahedra, corners with twelve equivalent Nd(2)Nd9Mg3 cuboctahedra, edges with six equivalent Nd(2)Nd9Mg3 cuboctahedra, faces with four equivalent Mg(1)Nd12 cuboctahedra, and faces with four equivalent Nd(2)Nd9Mg3 cuboctahedra. is represented by the CIF file [CIF]
data_Nd5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.777
_cell_length_b   6.777
_cell_length_c   6.777
_cell_angle_alpha   55.748
_cell_angle_beta   55.748
_cell_angle_gamma   55.748
_symmetry_Int_Tables_number   1
_cell_volume   198.370
_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  0.621  0.379  0.000  1.0
  Nd  Nd1  1  0.000  0.621  0.379  1.0
  Nd  Nd2  1  0.379  0.000  0.621  1.0
  Nd  Nd3  1  0.155  0.155  0.155  1.0
  Nd  Nd4  1  0.845  0.845  0.845  1.0
  Mg  Mg5  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by MgNd5 crystallizes in the trigonal R32 space group. Mg(1) is bonded to six equivalent Nd(1) and six equivalent Nd(2) atoms to form MgNd12 cuboctahedra that share corners with six equivalent Mg(1)Nd12 cuboctahedra, corners with twelve equivalent Nd(2)Nd9Mg3 cuboctahedra, edges with six equivalent Mg(1)Nd12 cuboctahedra, and faces with eight equivalent Nd(2)Nd9Mg3 cuboctahedra. There are two inequivalent Nd sites. In the first Nd site, Nd(1) is bonded in a 10-coordinate geometry to two equivalent Mg(1), four equivalent Nd(1), and four equivalent Nd(2) atoms. In the second Nd site, Nd(2) is bonded to three equivalent Mg(1), three equivalent Nd(2), and six equivalent Nd(1) atoms to form distorted NdNd9Mg3 cuboctahedra that share corners with six equivalent Mg(1)Nd12 cuboctahedra, corners with twelve equivalent Nd(2)Nd9Mg3 cuboctahedra, edges with six equivalent Nd(2)Nd9Mg3 cuboctahedra, faces with four equivalent Mg(1)Nd12 cuboctahedra, and faces with four equivalent Nd(2)Nd9Mg3 cuboctahedra. is represented by the CIF file [CIF]
data_Nd5Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.777
_cell_length_b   6.777
_cell_length_c   6.777
_cell_angle_alpha   55.748
_cell_angle_beta   55.748
_cell_angle_gamma   55.748
_symmetry_Int_Tables_number   1
_cell_volume   198.370
_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  0.621  0.379  0.000  1.0
  Nd  Nd1  1  0.000  0.621  0.379  1.0
  Nd  Nd2  1  0.379  0.000  0.621  1.0
  Nd  Nd3  1  0.155  0.155  0.155  1.0
  Nd  Nd4  1  0.845  0.845  0.845  1.0
  Mg  Mg5  1  0.500  0.500  0.500  1.0
[/CIF]
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