The compound described by CrNi3Sb4 crystallizes in the trigonal P-3m1 space group. Cr(1) is bonded to two equivalent Ni(2) and six equivalent Sb(1) atoms to form distorted edge-sharing CrNi2Sb6 hexagonal bipyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2) and six equivalent Sb(2) atoms. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), one Ni(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Ni(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Ni(1) and three equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrNi3Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.002
_cell_length_b   4.002
_cell_length_c   10.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   146.029
_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
  Cr  Cr0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.753  1.0
  Ni  Ni3  1  0.000  0.000  0.247  1.0
  Sb  Sb4  1  0.667  0.333  0.359  1.0
  Sb  Sb5  1  0.667  0.333  0.879  1.0
  Sb  Sb6  1  0.333  0.667  0.641  1.0
  Sb  Sb7  1  0.333  0.667  0.121  1.0
[/CIF]
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The compound described by CrNi3Sb4 crystallizes in the trigonal P-3m1 space group. Cr(1) is bonded to two equivalent Ni(2) and six equivalent Sb(1) atoms to form distorted edge-sharing CrNi2Sb6 hexagonal bipyramids. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ni(2) and six equivalent Sb(2) atoms. In the second Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to one Cr(1), one Ni(1), three equivalent Sb(1), and three equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 6-coordinate geometry to three equivalent Cr(1) and three equivalent Ni(2) atoms. In the second Sb site, Sb(2) is bonded in a 6-coordinate geometry to three equivalent Ni(1) and three equivalent Ni(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_CrNi3Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.002
_cell_length_b   4.002
_cell_length_c   10.529
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   146.029
_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
  Cr  Cr0  1  0.000  0.000  0.500  1.0
  Ni  Ni1  1  0.000  0.000  0.000  1.0
  Ni  Ni2  1  0.000  0.000  0.753  1.0
  Ni  Ni3  1  0.000  0.000  0.247  1.0
  Sb  Sb4  1  0.667  0.333  0.359  1.0
  Sb  Sb5  1  0.667  0.333  0.879  1.0
  Sb  Sb6  1  0.333  0.667  0.641  1.0
  Sb  Sb7  1  0.333  0.667  0.121  1.0
[/CIF]
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