The compound described by Nd2Fe3CoSi4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Co(1), four equivalent Si(1), and four equivalent Si(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(2) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to four equivalent Nd(1), four equivalent Co(1), and four equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(2) atoms. Co(1) is bonded in a 12-coordinate geometry to four equivalent Nd(1), four equivalent Fe(2), and four equivalent Si(1) 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(2), two equivalent Co(1), 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 Fe(1), two equivalent Fe(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd2Fe3CoSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.995
_cell_length_b   3.995
_cell_length_c   9.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.972
_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  0.749  1.0
  Nd  Nd1  1  0.000  0.500  0.251  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.000  0.500  0.887  1.0
  Si  Si7  1  0.500  0.000  0.388  1.0
  Si  Si8  1  0.500  0.000  0.113  1.0
  Si  Si9  1  0.000  0.500  0.612  1.0
[/CIF]
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The compound described by Nd2Fe3CoSi4 crystallizes in the tetragonal P-4m2 space group. Nd(1) is bonded in a 16-coordinate geometry to two equivalent Fe(1), two equivalent Fe(2), two equivalent Fe(3), two equivalent Co(1), four equivalent Si(1), and four equivalent Si(2) atoms. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(2) atoms. In the second Fe site, Fe(2) is bonded in a 4-coordinate geometry to four equivalent Nd(1), four equivalent Co(1), and four equivalent Si(1) atoms. In the third Fe site, Fe(3) is bonded in a 4-coordinate geometry to four equivalent Nd(1) and four equivalent Si(2) atoms. Co(1) is bonded in a 12-coordinate geometry to four equivalent Nd(1), four equivalent Fe(2), and four equivalent Si(1) 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(2), two equivalent Co(1), 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 Fe(1), two equivalent Fe(3), and one Si(1) atom. is represented by the CIF card [CIF]
data_Nd2Fe3CoSi4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.995
_cell_length_b   3.995
_cell_length_c   9.770
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   155.972
_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  0.749  1.0
  Nd  Nd1  1  0.000  0.500  0.251  1.0
  Fe  Fe2  1  0.000  0.000  0.500  1.0
  Fe  Fe3  1  0.000  0.000  0.000  1.0
  Fe  Fe4  1  0.500  0.500  0.500  1.0
  Co  Co5  1  0.500  0.500  0.000  1.0
  Si  Si6  1  0.000  0.500  0.887  1.0
  Si  Si7  1  0.500  0.000  0.388  1.0
  Si  Si8  1  0.500  0.000  0.113  1.0
  Si  Si9  1  0.000  0.500  0.612  1.0
[/CIF]
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