The material described by CoNiSb crystallizes in the trigonal P3m1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 11-coordinate geometry to one Co(3), one Ni(1), three equivalent Ni(2), three equivalent Ni(3), and three equivalent Sb(2) atoms. In the second Co site, Co(2) is bonded in a distorted body-centered cubic geometry to one Co(3), one Ni(1), three equivalent Sb(1), and three equivalent Sb(3) atoms. In the third Co site, Co(3) is bonded in a 11-coordinate geometry to one Co(1), one Co(2), three equivalent Ni(2), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Co(1), one Co(2), three equivalent Ni(3), and three equivalent Sb(3) atoms. In the second Ni site, Ni(2) is bonded in a 11-coordinate geometry to three equivalent Co(1), three equivalent Co(3), one Ni(3), one Sb(1), and three equivalent Sb(2) atoms. In the third Ni site, Ni(3) is bonded in a 13-coordinate geometry to three equivalent Co(1), one Ni(2), three equivalent Ni(1), three equivalent Sb(2), and three equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to three equivalent Co(2), three equivalent Co(3), and one Ni(2) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Co(1), three equivalent Co(3), three equivalent Ni(2), and three equivalent Ni(3) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to three equivalent Co(2), three equivalent Ni(1), and three equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_CoNiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.016
_cell_length_b   4.016
_cell_length_c   9.877
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   137.933
_cell_formula_units_Z   3
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
  Co  Co0  1  0.000  1.000  0.258  1.0
  Co  Co1  1  0.000  1.000  0.743  1.0
  Co  Co2  1  0.000  1.000  0.993  1.0
  Ni  Ni3  1  1.000  0.000  0.491  1.0
  Ni  Ni4  1  0.667  0.333  0.114  1.0
  Ni  Ni5  1  0.667  0.333  0.386  1.0
  Sb  Sb6  1  0.667  0.333  0.861  1.0
  Sb  Sb7  1  0.333  0.667  0.190  1.0
  Sb  Sb8  1  0.333  0.667  0.590  1.0
[/CIF]
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The material described by CoNiSb crystallizes in the trigonal P3m1 space group. There are three inequivalent Co sites. In the first Co site, Co(1) is bonded in a 11-coordinate geometry to one Co(3), one Ni(1), three equivalent Ni(2), three equivalent Ni(3), and three equivalent Sb(2) atoms. In the second Co site, Co(2) is bonded in a distorted body-centered cubic geometry to one Co(3), one Ni(1), three equivalent Sb(1), and three equivalent Sb(3) atoms. In the third Co site, Co(3) is bonded in a 11-coordinate geometry to one Co(1), one Co(2), three equivalent Ni(2), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are three inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a body-centered cubic geometry to one Co(1), one Co(2), three equivalent Ni(3), and three equivalent Sb(3) atoms. In the second Ni site, Ni(2) is bonded in a 11-coordinate geometry to three equivalent Co(1), three equivalent Co(3), one Ni(3), one Sb(1), and three equivalent Sb(2) atoms. In the third Ni site, Ni(3) is bonded in a 13-coordinate geometry to three equivalent Co(1), one Ni(2), three equivalent Ni(1), three equivalent Sb(2), and three equivalent Sb(3) atoms. There are three inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to three equivalent Co(2), three equivalent Co(3), and one Ni(2) atom. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Co(1), three equivalent Co(3), three equivalent Ni(2), and three equivalent Ni(3) atoms. In the third Sb site, Sb(3) is bonded in a 6-coordinate geometry to three equivalent Co(2), three equivalent Ni(1), and three equivalent Ni(3) atoms. is represented by the CIF file [CIF]
data_CoNiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.016
_cell_length_b   4.016
_cell_length_c   9.877
_cell_angle_alpha   90.001
_cell_angle_beta   89.999
_cell_angle_gamma   120.002
_symmetry_Int_Tables_number   1
_cell_volume   137.933
_cell_formula_units_Z   3
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
  Co  Co0  1  0.000  1.000  0.258  1.0
  Co  Co1  1  0.000  1.000  0.743  1.0
  Co  Co2  1  0.000  1.000  0.993  1.0
  Ni  Ni3  1  1.000  0.000  0.491  1.0
  Ni  Ni4  1  0.667  0.333  0.114  1.0
  Ni  Ni5  1  0.667  0.333  0.386  1.0
  Sb  Sb6  1  0.667  0.333  0.861  1.0
  Sb  Sb7  1  0.333  0.667  0.190  1.0
  Sb  Sb8  1  0.333  0.667  0.590  1.0
[/CIF]
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