The crystal structure described by Co3SbN crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. In the second Co site, Co(2) is bonded in a distorted linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. Sb(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form SbCo12 cuboctahedra that share corners with twelve equivalent Sb(1)Co12 cuboctahedra, faces with six equivalent Sb(1)Co12 cuboctahedra, and faces with eight equivalent N(1)Co6 octahedra. N(1) is bonded to two equivalent Co(2) and four equivalent Co(1) atoms to form NCo6 octahedra that share corners with six equivalent N(1)Co6 octahedra and faces with eight equivalent Sb(1)Co12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3SbN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   3.906
_cell_length_c   7.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.819
_symmetry_Int_Tables_number   1
_cell_volume   118.863
_cell_formula_units_Z   2
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  0.500  1.000  1.000  1.0
  Co  Co1  1  1.000  0.500  0.500  1.0
  Co  Co2  1  0.500  1.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.540  0.460  0.750  1.0
  Co  Co5  1  0.460  0.540  0.250  1.0
  N  N6  1  0.500  0.500  1.000  1.0
  N  N7  1  0.500  0.500  0.500  1.0
  Sb  Sb8  1  0.009  0.991  0.750  1.0
  Sb  Sb9  1  0.991  0.009  0.250  1.0
[/CIF]
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The crystal structure described by Co3SbN crystallizes in the orthorhombic Pnma space group. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. In the second Co site, Co(2) is bonded in a distorted linear geometry to four equivalent Sb(1) and two equivalent N(1) atoms. Sb(1) is bonded to four equivalent Co(2) and eight equivalent Co(1) atoms to form SbCo12 cuboctahedra that share corners with twelve equivalent Sb(1)Co12 cuboctahedra, faces with six equivalent Sb(1)Co12 cuboctahedra, and faces with eight equivalent N(1)Co6 octahedra. N(1) is bonded to two equivalent Co(2) and four equivalent Co(1) atoms to form NCo6 octahedra that share corners with six equivalent N(1)Co6 octahedra and faces with eight equivalent Sb(1)Co12 cuboctahedra. The corner-sharing octahedral tilt angles range from 6-13°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Co3SbN
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.906
_cell_length_b   3.906
_cell_length_c   7.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.819
_symmetry_Int_Tables_number   1
_cell_volume   118.863
_cell_formula_units_Z   2
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  0.500  1.000  1.000  1.0
  Co  Co1  1  1.000  0.500  0.500  1.0
  Co  Co2  1  0.500  1.000  0.500  1.0
  Co  Co3  1  0.000  0.500  0.000  1.0
  Co  Co4  1  0.540  0.460  0.750  1.0
  Co  Co5  1  0.460  0.540  0.250  1.0
  N  N6  1  0.500  0.500  1.000  1.0
  N  N7  1  0.500  0.500  0.500  1.0
  Sb  Sb8  1  0.009  0.991  0.750  1.0
  Sb  Sb9  1  0.991  0.009  0.250  1.0
[/CIF]
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