The material described by CoSb2 crystallizes in the monoclinic P2_1/c space group. Co(1) is bonded to three equivalent Sb(1) and three equivalent Sb(2) atoms to form a mixture of corner and edge-sharing CoSb6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. There are two inequivalent Sb sites. In the first Sb site, Sb(2) is bonded in a 3-coordinate geometry to three equivalent Co(1) atoms. In the second Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CoSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.377
_cell_length_b   6.523
_cell_length_c   6.485
_cell_angle_alpha   116.930
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.519
_cell_formula_units_Z   4
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  1.000  0.280  0.269  1.0
  Co  Co1  1  0.500  0.220  0.731  1.0
  Co  Co2  1  0.000  0.720  0.731  1.0
  Co  Co3  1  0.500  0.780  0.269  1.0
  Sb  Sb4  1  0.357  0.165  0.349  1.0
  Sb  Sb5  1  0.857  0.335  0.651  1.0
  Sb  Sb6  1  0.643  0.835  0.651  1.0
  Sb  Sb7  1  0.143  0.665  0.349  1.0
  Sb  Sb8  1  0.640  0.369  0.147  1.0
  Sb  Sb9  1  0.140  0.131  0.853  1.0
  Sb  Sb10  1  0.360  0.631  0.853  1.0
  Sb  Sb11  1  0.860  0.869  0.147  1.0
[/CIF]
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The material described by CoSb2 crystallizes in the monoclinic P2_1/c space group. Co(1) is bonded to three equivalent Sb(1) and three equivalent Sb(2) atoms to form a mixture of corner and edge-sharing CoSb6 octahedra. The corner-sharing octahedral tilt angles range from 49-56°. There are two inequivalent Sb sites. In the first Sb site, Sb(2) is bonded in a 3-coordinate geometry to three equivalent Co(1) atoms. In the second Sb site, Sb(1) is bonded in a 3-coordinate geometry to three equivalent Co(1) atoms. is represented by the CIF card [CIF]
data_CoSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.377
_cell_length_b   6.523
_cell_length_c   6.485
_cell_angle_alpha   116.930
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   240.519
_cell_formula_units_Z   4
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  1.000  0.280  0.269  1.0
  Co  Co1  1  0.500  0.220  0.731  1.0
  Co  Co2  1  0.000  0.720  0.731  1.0
  Co  Co3  1  0.500  0.780  0.269  1.0
  Sb  Sb4  1  0.357  0.165  0.349  1.0
  Sb  Sb5  1  0.857  0.335  0.651  1.0
  Sb  Sb6  1  0.643  0.835  0.651  1.0
  Sb  Sb7  1  0.143  0.665  0.349  1.0
  Sb  Sb8  1  0.640  0.369  0.147  1.0
  Sb  Sb9  1  0.140  0.131  0.853  1.0
  Sb  Sb10  1  0.360  0.631  0.853  1.0
  Sb  Sb11  1  0.860  0.869  0.147  1.0
[/CIF]
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