The material described by Nd2FeCo3Si4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Fe(1), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), four equivalent Si(1), and four equivalent Si(2) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1), four equivalent Co(2), and four equivalent Si(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(2) atoms. In the second Co site, Co(2) is bonded to four equivalent Nd(1), four equivalent Fe(1), and four equivalent Si(1) atoms to form a mixture of distorted face and corner-sharing CoNd4Fe4Si4 cuboctahedra. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Fe(1), two equivalent Co(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Co(1), two equivalent Co(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd2FeCo3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.964
_cell_length_b   3.964
_cell_length_c   9.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.730
_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  0.752  1.0
  Nd  Nd1  1  0.000  0.500  0.248  1.0
  Fe  Fe2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Si  Si6  1  0.000  0.500  0.887  1.0
  Si  Si7  1  0.500  0.000  0.383  1.0
  Si  Si8  1  0.500  0.000  0.113  1.0
  Si  Si9  1  0.000  0.500  0.617  1.0
[/CIF]
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The material described by Nd2FeCo3Si4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Fe(1), two equivalent Co(1), two equivalent Co(2), two equivalent Co(3), four equivalent Si(1), and four equivalent Si(2) atoms. Fe(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1), four equivalent Co(2), and four equivalent Si(1) atoms. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(2) atoms. In the second Co site, Co(2) is bonded to four equivalent Nd(1), four equivalent Fe(1), and four equivalent Si(1) atoms to form a mixture of distorted face and corner-sharing CoNd4Fe4Si4 cuboctahedra. In the third Co site, Co(3) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(2) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Fe(1), two equivalent Co(2), and one Si(2) atom. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to four equivalent Nd(1), two equivalent Co(1), two equivalent Co(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd2FeCo3Si4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.964
_cell_length_b   3.964
_cell_length_c   9.977
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   156.730
_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  0.752  1.0
  Nd  Nd1  1  0.000  0.500  0.248  1.0
  Fe  Fe2  1  0.500  0.500  0.000  1.0
  Co  Co3  1  0.000  0.000  0.500  1.0
  Co  Co4  1  0.000  0.000  0.000  1.0
  Co  Co5  1  0.500  0.500  0.500  1.0
  Si  Si6  1  0.000  0.500  0.887  1.0
  Si  Si7  1  0.500  0.000  0.383  1.0
  Si  Si8  1  0.500  0.000  0.113  1.0
  Si  Si9  1  0.000  0.500  0.617  1.0
[/CIF]
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