The crystal structure described by Ta6Cr3Fe3C2 crystallizes in the orthorhombic Imm2 space group. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to two equivalent Cr(2), two equivalent Cr(3), two equivalent Fe(3), and two equivalent C(1) atoms. In the second Ta site, Ta(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cr(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent C(2) atoms. In the third Ta site, Ta(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1), one Cr(2), one Cr(3), one Fe(1), one Fe(2), one Fe(3), one C(1), and one C(2) atom. In the fourth Ta site, Ta(4) is bonded in a 2-coordinate geometry to two equivalent Cr(2), two equivalent Fe(1), two equivalent Fe(2), and two equivalent C(1) atoms. In the fifth Ta site, Ta(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Cr(1), two equivalent Cr(3), two equivalent Fe(3), and two equivalent C(2) atoms. In the sixth Ta site, Ta(6) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), one Cr(3), one Fe(1), one Fe(2), one Fe(3), one C(1), and one C(2) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Ta(2), one Ta(5), two equivalent Ta(3), two equivalent Ta(6), one Cr(3), one Fe(2), two equivalent Fe(1), and two equivalent Fe(3) atoms to form distorted CrTa6CrFe5 cuboctahedra that share corners with three equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, corners with three equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, edges with two equivalent C(1)Ta6 octahedra, edges with four equivalent C(2)Ta6 octahedra, faces with two equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, faces with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, and faces with four equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra. In the second Cr site, Cr(2) is bonded to one Ta(1), one Ta(4), two equivalent Ta(3), two equivalent Ta(6), two equivalent Cr(3), one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted CrTa6Cr2Fe4 cuboctahedra that share corners with three equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, edges with two equivalent C(2)Ta6 octahedra, edges with four equivalent C(1)Ta6 octahedra, faces with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, and faces with four equivalent Cr(1)Ta6CrFe5 cuboctahedra. In the third Cr site, Cr(3) is bonded to one Ta(1), one Ta(5), two equivalent Ta(3), two equivalent Ta(6), one Cr(1), one Cr(3), two equivalent Cr(2), and two equivalent Fe(1) atoms to form distorted CrTa6Cr4Fe2 cuboctahedra that share  a cornercorner with one Cr(3)Ta6Cr4Fe2 cuboctahedra, corners with three equivalent Cr(1)Ta6CrFe5 cuboctahedra, corners with three equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, corners with three equivalent C(1)Ta6 octahedra,  a faceface with one Cr(3)Ta6Cr4Fe2 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with four equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra,  a faceface with one C(1)Ta6 octahedra, and faces with two equivalent C(2)Ta6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Ta(2), one Ta(4), two equivalent Ta(3), two equivalent Ta(6), one Cr(2), two equivalent Cr(1), two equivalent Cr(3), and one Fe(1) atom. In the second Fe site, Fe(2) is bonded to one Ta(2), one Ta(4), two equivalent Ta(3), two equivalent Ta(6), one Cr(1), two equivalent Cr(2), one Fe(2), and two equivalent Fe(3) atoms to form distorted FeTa6Cr3Fe3 cuboctahedra that share  a cornercorner with one Fe(2)Ta6Cr3Fe3 cuboctahedra, corners with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, corners with three equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, corners with three equivalent Cr(1)Ta6CrFe5 cuboctahedra, corners with three equivalent C(1)Ta6 octahedra,  a faceface with one Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, faces with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, faces with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra,  a faceface with one C(1)Ta6 octahedra, and faces with two equivalent C(2)Ta6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Fe site, Fe(3) is bonded to one Ta(1), one Ta(5), two equivalent Ta(3), two equivalent Ta(6), one Cr(2), two equivalent Cr(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted FeTa6Cr3Fe3 cuboctahedra that share  a cornercorner with one Fe(3)Ta6Cr3Fe3 cuboctahedra, corners with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, corners with three equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, corners with three equivalent C(2)Ta6 octahedra,  a faceface with one Fe(3)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with four equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra,  a faceface with one C(2)Ta6 octahedra, and faces with two equivalent C(1)Ta6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Ta(1), one Ta(4), two equivalent Ta(3), and two equivalent Ta(6) atoms to form CTa6 octahedra that share corners with three equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, corners with three equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, corners with two equivalent C(1)Ta6 octahedra, corners with four equivalent C(2)Ta6 octahedra, edges with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, edges with four equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra,  a faceface with one Cr(3)Ta6Cr4Fe2 cuboctahedra,  a faceface with one Fe(2)Ta6Cr3Fe3 cuboctahedra, and faces with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. In the second C site, C(2) is bonded to one Ta(2), one Ta(5), two equivalent Ta(3), and two equivalent Ta(6) atoms to form CTa6 octahedra that share corners with three equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, corners with two equivalent C(2)Ta6 octahedra, corners with four equivalent C(1)Ta6 octahedra, edges with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, edges with four equivalent Cr(1)Ta6CrFe5 cuboctahedra,  a faceface with one Fe(3)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, and faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta6Cr3Fe3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.086
_cell_length_b   8.086
_cell_length_c   8.086
_cell_angle_alpha   120.161
_cell_angle_beta   119.935
_cell_angle_gamma   89.917
_symmetry_Int_Tables_number   1
_cell_volume   373.614
_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
  Ta  Ta0  1  0.070  0.570  0.500  1.0
  Ta  Ta1  1  0.680  0.180  0.500  1.0
  Ta  Ta2  1  0.069  0.180  0.499  1.0
  Ta  Ta3  1  0.680  0.570  0.501  1.0
  Ta  Ta4  1  0.680  0.180  0.111  1.0
  Ta  Ta5  1  0.069  0.570  0.889  1.0
  Ta  Ta6  1  0.430  0.430  0.000  1.0
  Ta  Ta7  1  0.820  0.820  0.000  1.0
  Ta  Ta8  1  0.430  0.820  0.000  1.0
  Ta  Ta9  1  0.819  0.430  1.000  1.0
  Ta  Ta10  1  0.819  0.820  0.390  1.0
  Ta  Ta11  1  0.430  0.430  0.610  1.0
  Cr  Cr12  1  0.752  0.001  0.751  1.0
  Cr  Cr13  1  0.250  0.001  0.249  1.0
  Cr  Cr14  1  0.250  0.499  0.249  1.0
  Cr  Cr15  1  0.250  0.001  0.751  1.0
  Cr  Cr16  1  0.143  0.798  0.345  1.0
  Cr  Cr17  1  0.453  0.798  0.655  1.0
  Fe  Fe18  1  0.454  0.111  0.656  1.0
  Fe  Fe19  1  0.454  0.798  0.344  1.0
  Fe  Fe20  1  0.353  0.201  0.152  1.0
  Fe  Fe21  1  0.049  0.201  0.848  1.0
  Fe  Fe22  1  0.048  0.895  0.847  1.0
  Fe  Fe23  1  0.048  0.201  0.153  1.0
  C  C24  1  0.251  0.500  0.751  1.0
  C  C25  1  0.749  0.500  0.249  1.0
  C  C26  1  0.750  0.000  0.250  1.0
  C  C27  1  0.750  0.499  0.750  1.0
[/CIF]
.
The crystal structure described by Ta6Cr3Fe3C2 crystallizes in the orthorhombic Imm2 space group. There are six inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a 2-coordinate geometry to two equivalent Cr(2), two equivalent Cr(3), two equivalent Fe(3), and two equivalent C(1) atoms. In the second Ta site, Ta(2) is bonded in a distorted bent 150 degrees geometry to two equivalent Cr(1), two equivalent Fe(1), two equivalent Fe(2), and two equivalent C(2) atoms. In the third Ta site, Ta(3) is bonded in a distorted bent 150 degrees geometry to one Cr(1), one Cr(2), one Cr(3), one Fe(1), one Fe(2), one Fe(3), one C(1), and one C(2) atom. In the fourth Ta site, Ta(4) is bonded in a 2-coordinate geometry to two equivalent Cr(2), two equivalent Fe(1), two equivalent Fe(2), and two equivalent C(1) atoms. In the fifth Ta site, Ta(5) is bonded in a distorted bent 150 degrees geometry to two equivalent Cr(1), two equivalent Cr(3), two equivalent Fe(3), and two equivalent C(2) atoms. In the sixth Ta site, Ta(6) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), one Cr(3), one Fe(1), one Fe(2), one Fe(3), one C(1), and one C(2) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one Ta(2), one Ta(5), two equivalent Ta(3), two equivalent Ta(6), one Cr(3), one Fe(2), two equivalent Fe(1), and two equivalent Fe(3) atoms to form distorted CrTa6CrFe5 cuboctahedra that share corners with three equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, corners with three equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, edges with two equivalent C(1)Ta6 octahedra, edges with four equivalent C(2)Ta6 octahedra, faces with two equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, faces with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, and faces with four equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra. In the second Cr site, Cr(2) is bonded to one Ta(1), one Ta(4), two equivalent Ta(3), two equivalent Ta(6), two equivalent Cr(3), one Fe(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted CrTa6Cr2Fe4 cuboctahedra that share corners with three equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, edges with two equivalent C(2)Ta6 octahedra, edges with four equivalent C(1)Ta6 octahedra, faces with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, and faces with four equivalent Cr(1)Ta6CrFe5 cuboctahedra. In the third Cr site, Cr(3) is bonded to one Ta(1), one Ta(5), two equivalent Ta(3), two equivalent Ta(6), one Cr(1), one Cr(3), two equivalent Cr(2), and two equivalent Fe(1) atoms to form distorted CrTa6Cr4Fe2 cuboctahedra that share  a cornercorner with one Cr(3)Ta6Cr4Fe2 cuboctahedra, corners with three equivalent Cr(1)Ta6CrFe5 cuboctahedra, corners with three equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, corners with three equivalent C(1)Ta6 octahedra,  a faceface with one Cr(3)Ta6Cr4Fe2 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with four equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra,  a faceface with one C(1)Ta6 octahedra, and faces with two equivalent C(2)Ta6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 12-coordinate geometry to one Ta(2), one Ta(4), two equivalent Ta(3), two equivalent Ta(6), one Cr(2), two equivalent Cr(1), two equivalent Cr(3), and one Fe(1) atom. In the second Fe site, Fe(2) is bonded to one Ta(2), one Ta(4), two equivalent Ta(3), two equivalent Ta(6), one Cr(1), two equivalent Cr(2), one Fe(2), and two equivalent Fe(3) atoms to form distorted FeTa6Cr3Fe3 cuboctahedra that share  a cornercorner with one Fe(2)Ta6Cr3Fe3 cuboctahedra, corners with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, corners with three equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, corners with three equivalent Cr(1)Ta6CrFe5 cuboctahedra, corners with three equivalent C(1)Ta6 octahedra,  a faceface with one Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, faces with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, faces with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra,  a faceface with one C(1)Ta6 octahedra, and faces with two equivalent C(2)Ta6 octahedra. The corner-sharing octahedral tilt angles are 43°. In the third Fe site, Fe(3) is bonded to one Ta(1), one Ta(5), two equivalent Ta(3), two equivalent Ta(6), one Cr(2), two equivalent Cr(1), one Fe(3), and two equivalent Fe(2) atoms to form distorted FeTa6Cr3Fe3 cuboctahedra that share  a cornercorner with one Fe(3)Ta6Cr3Fe3 cuboctahedra, corners with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, corners with three equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, corners with three equivalent C(2)Ta6 octahedra,  a faceface with one Fe(3)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, faces with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, faces with four equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra,  a faceface with one C(2)Ta6 octahedra, and faces with two equivalent C(1)Ta6 octahedra. The corner-sharing octahedral tilt angles are 43°. There are two inequivalent C sites. In the first C site, C(1) is bonded to one Ta(1), one Ta(4), two equivalent Ta(3), and two equivalent Ta(6) atoms to form CTa6 octahedra that share corners with three equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, corners with three equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra, corners with two equivalent C(1)Ta6 octahedra, corners with four equivalent C(2)Ta6 octahedra, edges with two equivalent Cr(1)Ta6CrFe5 cuboctahedra, edges with four equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra,  a faceface with one Cr(3)Ta6Cr4Fe2 cuboctahedra,  a faceface with one Fe(2)Ta6Cr3Fe3 cuboctahedra, and faces with two equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. In the second C site, C(2) is bonded to one Ta(2), one Ta(5), two equivalent Ta(3), and two equivalent Ta(6) atoms to form CTa6 octahedra that share corners with three equivalent Fe(3)Ta6Cr3Fe3 cuboctahedra, corners with two equivalent C(2)Ta6 octahedra, corners with four equivalent C(1)Ta6 octahedra, edges with two equivalent Cr(2)Ta6Cr2Fe4 cuboctahedra, edges with four equivalent Cr(1)Ta6CrFe5 cuboctahedra,  a faceface with one Fe(3)Ta6Cr3Fe3 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Fe2 cuboctahedra, and faces with two equivalent Fe(2)Ta6Cr3Fe3 cuboctahedra. The corner-sharing octahedral tilt angles are 43°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta6Cr3Fe3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.086
_cell_length_b   8.086
_cell_length_c   8.086
_cell_angle_alpha   120.161
_cell_angle_beta   119.935
_cell_angle_gamma   89.917
_symmetry_Int_Tables_number   1
_cell_volume   373.614
_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
  Ta  Ta0  1  0.070  0.570  0.500  1.0
  Ta  Ta1  1  0.680  0.180  0.500  1.0
  Ta  Ta2  1  0.069  0.180  0.499  1.0
  Ta  Ta3  1  0.680  0.570  0.501  1.0
  Ta  Ta4  1  0.680  0.180  0.111  1.0
  Ta  Ta5  1  0.069  0.570  0.889  1.0
  Ta  Ta6  1  0.430  0.430  0.000  1.0
  Ta  Ta7  1  0.820  0.820  0.000  1.0
  Ta  Ta8  1  0.430  0.820  0.000  1.0
  Ta  Ta9  1  0.819  0.430  1.000  1.0
  Ta  Ta10  1  0.819  0.820  0.390  1.0
  Ta  Ta11  1  0.430  0.430  0.610  1.0
  Cr  Cr12  1  0.752  0.001  0.751  1.0
  Cr  Cr13  1  0.250  0.001  0.249  1.0
  Cr  Cr14  1  0.250  0.499  0.249  1.0
  Cr  Cr15  1  0.250  0.001  0.751  1.0
  Cr  Cr16  1  0.143  0.798  0.345  1.0
  Cr  Cr17  1  0.453  0.798  0.655  1.0
  Fe  Fe18  1  0.454  0.111  0.656  1.0
  Fe  Fe19  1  0.454  0.798  0.344  1.0
  Fe  Fe20  1  0.353  0.201  0.152  1.0
  Fe  Fe21  1  0.049  0.201  0.848  1.0
  Fe  Fe22  1  0.048  0.895  0.847  1.0
  Fe  Fe23  1  0.048  0.201  0.153  1.0
  C  C24  1  0.251  0.500  0.751  1.0
  C  C25  1  0.749  0.500  0.249  1.0
  C  C26  1  0.750  0.000  0.250  1.0
  C  C27  1  0.750  0.499  0.750  1.0
[/CIF]
.