The material described by Nd2Mn3FeGe4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Fe(1), four equivalent Ge(1), and four equivalent Ge(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Nd(1) and four equivalent Ge(2) atoms to form MnNd4Ge4 tetrahedra that share corners with four equivalent Mn(2)Nd4Ge4 tetrahedra, corners with eight equivalent Fe(1)Nd4Ge4 tetrahedra, edges with two equivalent Mn(2)Nd4Ge4 tetrahedra, edges with four equivalent Mn(1)Nd4Ge4 tetrahedra, and faces with four equivalent Mn(3)Nd4Ge4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent Nd(1) and four equivalent Ge(1) atoms to form distorted MnNd4Ge4 tetrahedra that share corners with four equivalent Mn(1)Nd4Ge4 tetrahedra, corners with eight equivalent Mn(3)Nd4Ge4 tetrahedra, edges with two equivalent Mn(1)Nd4Ge4 tetrahedra, edges with four equivalent Mn(2)Nd4Ge4 tetrahedra, and faces with four equivalent Fe(1)Nd4Ge4 tetrahedra. In the third Mn site, Mn(3) is bonded to four equivalent Nd(1) and four equivalent Ge(2) atoms to form MnNd4Ge4 tetrahedra that share corners with four equivalent Fe(1)Nd4Ge4 tetrahedra, corners with eight equivalent Mn(2)Nd4Ge4 tetrahedra, edges with two equivalent Fe(1)Nd4Ge4 tetrahedra, edges with four equivalent Mn(3)Nd4Ge4 tetrahedra, and faces with four equivalent Mn(1)Nd4Ge4 tetrahedra. Fe(1) is bonded to four equivalent Nd(1) and four equivalent Ge(1) atoms to form distorted FeNd4Ge4 tetrahedra that share corners with four equivalent Mn(3)Nd4Ge4 tetrahedra, corners with eight equivalent Mn(1)Nd4Ge4 tetrahedra, edges with two equivalent Mn(3)Nd4Ge4 tetrahedra, edges with four equivalent Fe(1)Nd4Ge4 tetrahedra, and faces with four equivalent Mn(2)Nd4Ge4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(2), two equivalent Fe(1), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(1), two equivalent Mn(3), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Nd2Mn3FeGe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.024
_cell_length_b   4.024
_cell_length_c   10.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.322
_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  0.000  0.753  1.0
  Nd  Nd1  1  0.000  0.500  0.247  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  Ge  Ge6  1  0.000  0.500  0.878  1.0
  Ge  Ge7  1  0.500  0.000  0.373  1.0
  Ge  Ge8  1  0.500  0.000  0.122  1.0
  Ge  Ge9  1  0.000  0.500  0.627  1.0
[/CIF]
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The material described by Nd2Mn3FeGe4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), two equivalent Fe(1), four equivalent Ge(1), and four equivalent Ge(2) atoms. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Nd(1) and four equivalent Ge(2) atoms to form MnNd4Ge4 tetrahedra that share corners with four equivalent Mn(2)Nd4Ge4 tetrahedra, corners with eight equivalent Fe(1)Nd4Ge4 tetrahedra, edges with two equivalent Mn(2)Nd4Ge4 tetrahedra, edges with four equivalent Mn(1)Nd4Ge4 tetrahedra, and faces with four equivalent Mn(3)Nd4Ge4 tetrahedra. In the second Mn site, Mn(2) is bonded to four equivalent Nd(1) and four equivalent Ge(1) atoms to form distorted MnNd4Ge4 tetrahedra that share corners with four equivalent Mn(1)Nd4Ge4 tetrahedra, corners with eight equivalent Mn(3)Nd4Ge4 tetrahedra, edges with two equivalent Mn(1)Nd4Ge4 tetrahedra, edges with four equivalent Mn(2)Nd4Ge4 tetrahedra, and faces with four equivalent Fe(1)Nd4Ge4 tetrahedra. In the third Mn site, Mn(3) is bonded to four equivalent Nd(1) and four equivalent Ge(2) atoms to form MnNd4Ge4 tetrahedra that share corners with four equivalent Fe(1)Nd4Ge4 tetrahedra, corners with eight equivalent Mn(2)Nd4Ge4 tetrahedra, edges with two equivalent Fe(1)Nd4Ge4 tetrahedra, edges with four equivalent Mn(3)Nd4Ge4 tetrahedra, and faces with four equivalent Mn(1)Nd4Ge4 tetrahedra. Fe(1) is bonded to four equivalent Nd(1) and four equivalent Ge(1) atoms to form distorted FeNd4Ge4 tetrahedra that share corners with four equivalent Mn(3)Nd4Ge4 tetrahedra, corners with eight equivalent Mn(1)Nd4Ge4 tetrahedra, edges with two equivalent Mn(3)Nd4Ge4 tetrahedra, edges with four equivalent Fe(1)Nd4Ge4 tetrahedra, and faces with four equivalent Mn(2)Nd4Ge4 tetrahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(2), two equivalent Fe(1), and one Ge(2) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Mn(1), two equivalent Mn(3), and one Ge(1) atom. is represented by the CIF card [CIF]
data_Nd2Mn3FeGe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.024
_cell_length_b   4.024
_cell_length_c   10.827
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   175.322
_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  0.000  0.753  1.0
  Nd  Nd1  1  0.000  0.500  0.247  1.0
  Mn  Mn2  1  0.000  0.000  0.500  1.0
  Mn  Mn3  1  0.000  0.000  0.000  1.0
  Mn  Mn4  1  0.500  0.500  0.500  1.0
  Fe  Fe5  1  0.500  0.500  0.000  1.0
  Ge  Ge6  1  0.000  0.500  0.878  1.0
  Ge  Ge7  1  0.500  0.000  0.373  1.0
  Ge  Ge8  1  0.500  0.000  0.122  1.0
  Ge  Ge9  1  0.000  0.500  0.627  1.0
[/CIF]
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