The structure described by In4(Co4C)3 crystallizes in the tetragonal P4/mmm space group. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to four equivalent Co(3), four equivalent In(1), and one C(1) atom. In the second Co site, Co(2) is bonded in a linear geometry to four equivalent In(2), one C(1), and one C(2) atom. In the third Co site, Co(3) is bonded to four equivalent Co(1), four equivalent Co(3), and four equivalent In(1) atoms to form CoIn4Co8 cuboctahedra that share corners with four equivalent Co(3)In4Co8 cuboctahedra, corners with four equivalent C(1)Co6 octahedra, edges with eight equivalent In(1)Co12 cuboctahedra, faces with four equivalent In(1)Co12 cuboctahedra, and faces with eight equivalent Co(3)In4Co8 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth Co site, Co(4) is bonded in a linear geometry to two equivalent In(1), two equivalent In(2), and two equivalent C(1) atoms. In the fifth Co site, Co(5) is bonded in a linear geometry to four equivalent In(2) and two equivalent C(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Co(1), four equivalent Co(3), and four equivalent Co(4) atoms to form InCo12 cuboctahedra that share corners with four equivalent In(2)Co12 cuboctahedra, corners with eight equivalent In(1)Co12 cuboctahedra, edges with eight equivalent Co(3)In4Co8 cuboctahedra,  a faceface with one In(2)Co12 cuboctahedra, faces with four equivalent Co(3)In4Co8 cuboctahedra, faces with five equivalent In(1)Co12 cuboctahedra, and faces with four equivalent C(1)Co6 octahedra. In the second In site, In(2) is bonded to four equivalent Co(2), four equivalent Co(4), and four equivalent Co(5) atoms to form InCo12 cuboctahedra that share corners with four equivalent In(1)Co12 cuboctahedra, corners with eight equivalent In(2)Co12 cuboctahedra,  a faceface with one In(1)Co12 cuboctahedra, faces with five equivalent In(2)Co12 cuboctahedra, faces with four equivalent C(1)Co6 octahedra, and faces with four equivalent C(2)Co6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Co(1), one Co(2), and four equivalent Co(4) atoms to form CCo6 octahedra that share corners with four equivalent Co(3)In4Co8 cuboctahedra,  a cornercorner with one C(2)Co6 octahedra, corners with four equivalent C(1)Co6 octahedra, faces with four equivalent In(1)Co12 cuboctahedra, and faces with four equivalent In(2)Co12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second C site, C(2) is bonded to two equivalent Co(2) and four equivalent Co(5) atoms to form CCo6 octahedra that share corners with two equivalent C(1)Co6 octahedra, corners with four equivalent C(2)Co6 octahedra, and faces with eight equivalent In(2)Co12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_In4(Co4C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.828
_cell_length_b   3.828
_cell_length_c   15.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.486
_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
  In  In0  1  0.000  0.000  0.877  1.0
  In  In1  1  0.000  0.000  0.123  1.0
  In  In2  1  0.000  0.000  0.375  1.0
  In  In3  1  0.000  0.000  0.625  1.0
  Co  Co4  1  0.500  0.500  0.880  1.0
  Co  Co5  1  0.500  0.500  0.120  1.0
  Co  Co6  1  0.500  0.500  0.374  1.0
  Co  Co7  1  0.500  0.500  0.626  1.0
  Co  Co8  1  0.500  0.000  0.000  1.0
  Co  Co9  1  0.500  0.000  0.250  1.0
  Co  Co10  1  0.500  0.000  0.500  1.0
  Co  Co11  1  0.500  0.000  0.750  1.0
  Co  Co12  1  0.000  0.500  0.000  1.0
  Co  Co13  1  0.000  0.500  0.250  1.0
  Co  Co14  1  0.000  0.500  0.500  1.0
  Co  Co15  1  0.000  0.500  0.750  1.0
  C  C16  1  0.500  0.500  0.244  1.0
  C  C17  1  0.500  0.500  0.500  1.0
  C  C18  1  0.500  0.500  0.756  1.0
[/CIF]
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The structure described by In4(Co4C)3 crystallizes in the tetragonal P4/mmm space group. There are five inequivalent Co sites. In the first Co site, Co(1) is bonded in a single-bond geometry to four equivalent Co(3), four equivalent In(1), and one C(1) atom. In the second Co site, Co(2) is bonded in a linear geometry to four equivalent In(2), one C(1), and one C(2) atom. In the third Co site, Co(3) is bonded to four equivalent Co(1), four equivalent Co(3), and four equivalent In(1) atoms to form CoIn4Co8 cuboctahedra that share corners with four equivalent Co(3)In4Co8 cuboctahedra, corners with four equivalent C(1)Co6 octahedra, edges with eight equivalent In(1)Co12 cuboctahedra, faces with four equivalent In(1)Co12 cuboctahedra, and faces with eight equivalent Co(3)In4Co8 cuboctahedra. The corner-sharing octahedral tilt angles are 46°. In the fourth Co site, Co(4) is bonded in a linear geometry to two equivalent In(1), two equivalent In(2), and two equivalent C(1) atoms. In the fifth Co site, Co(5) is bonded in a linear geometry to four equivalent In(2) and two equivalent C(2) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Co(1), four equivalent Co(3), and four equivalent Co(4) atoms to form InCo12 cuboctahedra that share corners with four equivalent In(2)Co12 cuboctahedra, corners with eight equivalent In(1)Co12 cuboctahedra, edges with eight equivalent Co(3)In4Co8 cuboctahedra,  a faceface with one In(2)Co12 cuboctahedra, faces with four equivalent Co(3)In4Co8 cuboctahedra, faces with five equivalent In(1)Co12 cuboctahedra, and faces with four equivalent C(1)Co6 octahedra. In the second In site, In(2) is bonded to four equivalent Co(2), four equivalent Co(4), and four equivalent Co(5) atoms to form InCo12 cuboctahedra that share corners with four equivalent In(1)Co12 cuboctahedra, corners with eight equivalent In(2)Co12 cuboctahedra,  a faceface with one In(1)Co12 cuboctahedra, faces with five equivalent In(2)Co12 cuboctahedra, faces with four equivalent C(1)Co6 octahedra, and faces with four equivalent C(2)Co6 octahedra. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Co(1), one Co(2), and four equivalent Co(4) atoms to form CCo6 octahedra that share corners with four equivalent Co(3)In4Co8 cuboctahedra,  a cornercorner with one C(2)Co6 octahedra, corners with four equivalent C(1)Co6 octahedra, faces with four equivalent In(1)Co12 cuboctahedra, and faces with four equivalent In(2)Co12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-6°. In the second C site, C(2) is bonded to two equivalent Co(2) and four equivalent Co(5) atoms to form CCo6 octahedra that share corners with two equivalent C(1)Co6 octahedra, corners with four equivalent C(2)Co6 octahedra, and faces with eight equivalent In(2)Co12 cuboctahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_In4(Co4C)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.828
_cell_length_b   3.828
_cell_length_c   15.180
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   222.486
_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
  In  In0  1  0.000  0.000  0.877  1.0
  In  In1  1  0.000  0.000  0.123  1.0
  In  In2  1  0.000  0.000  0.375  1.0
  In  In3  1  0.000  0.000  0.625  1.0
  Co  Co4  1  0.500  0.500  0.880  1.0
  Co  Co5  1  0.500  0.500  0.120  1.0
  Co  Co6  1  0.500  0.500  0.374  1.0
  Co  Co7  1  0.500  0.500  0.626  1.0
  Co  Co8  1  0.500  0.000  0.000  1.0
  Co  Co9  1  0.500  0.000  0.250  1.0
  Co  Co10  1  0.500  0.000  0.500  1.0
  Co  Co11  1  0.500  0.000  0.750  1.0
  Co  Co12  1  0.000  0.500  0.000  1.0
  Co  Co13  1  0.000  0.500  0.250  1.0
  Co  Co14  1  0.000  0.500  0.500  1.0
  Co  Co15  1  0.000  0.500  0.750  1.0
  C  C16  1  0.500  0.500  0.244  1.0
  C  C17  1  0.500  0.500  0.500  1.0
  C  C18  1  0.500  0.500  0.756  1.0
[/CIF]
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