The structure described by FeNiSb4 is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. Fe(1) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form FeSb6 octahedra that share corners with eight equivalent Ni(1)Sb6 octahedra and edges with two equivalent Fe(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Ni(1) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form NiSb6 octahedra that share corners with eight equivalent Fe(1)Sb6 octahedra and edges with two equivalent Ni(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeNiSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.419
_cell_length_b   5.663
_cell_length_c   6.459
_cell_angle_alpha   89.702
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.073
_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
  Fe  Fe0  1  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.500  0.304  0.855  1.0
  Sb  Sb3  1  0.500  0.696  0.145  1.0
  Sb  Sb4  1  0.000  0.799  0.640  1.0
  Sb  Sb5  1  0.000  0.201  0.360  1.0
[/CIF]
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The structure described by FeNiSb4 is Marcasite-derived structured and crystallizes in the monoclinic P2/m space group. Fe(1) is bonded to two equivalent Sb(1) and four equivalent Sb(2) atoms to form FeSb6 octahedra that share corners with eight equivalent Ni(1)Sb6 octahedra and edges with two equivalent Fe(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Ni(1) is bonded to two equivalent Sb(2) and four equivalent Sb(1) atoms to form NiSb6 octahedra that share corners with eight equivalent Fe(1)Sb6 octahedra and edges with two equivalent Ni(1)Sb6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Fe(1) and two equivalent Ni(1) atoms. In the second Sb site, Sb(2) is bonded in a 3-coordinate geometry to two equivalent Fe(1) and one Ni(1) atom. is represented by the Crystallographic Information File (CIF) [CIF]
data_FeNiSb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.419
_cell_length_b   5.663
_cell_length_c   6.459
_cell_angle_alpha   89.702
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   125.073
_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
  Fe  Fe0  1  0.500  0.500  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Sb  Sb2  1  0.500  0.304  0.855  1.0
  Sb  Sb3  1  0.500  0.696  0.145  1.0
  Sb  Sb4  1  0.000  0.799  0.640  1.0
  Sb  Sb5  1  0.000  0.201  0.360  1.0
[/CIF]
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