The material structure described by Ta6Cr3Cu3C2 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 Cu(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 Cu(1), two equivalent Cu(2), and two equivalent C(2) atoms. In the third Ta site, Ta(3) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), one Cr(3), one Cu(1), one Cu(2), one Cu(3), one C(1), and one C(2) atom. In the fourth Ta site, Ta(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cr(2), two equivalent Cu(1), two equivalent Cu(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 Cu(3), and two equivalent C(2) atoms. In the sixth Ta site, Ta(6) is bonded in a distorted bent 150 degrees geometry to one Cr(1), one Cr(2), one Cr(3), one Cu(1), one Cu(2), one Cu(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 Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form distorted CrTa6CrCu5 cuboctahedra that share corners with three equivalent Cr(3)Ta6Cr4Cu2 cuboctahedra, edges with two equivalent C(1)Ta6 octahedra, edges with four equivalent C(2)Ta6 octahedra, faces with two equivalent Cr(3)Ta6Cr4Cu2 cuboctahedra, faces with two equivalent Cr(1)Ta6CrCu5 cuboctahedra, and faces with four equivalent Cr(2)Ta6Cr2Cu4 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 Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form distorted CrTa6Cr2Cu4 cuboctahedra that share edges with two equivalent C(2)Ta6 octahedra, edges with four equivalent C(1)Ta6 octahedra, faces with two equivalent Cr(2)Ta6Cr2Cu4 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Cu2 cuboctahedra, and faces with four equivalent Cr(1)Ta6CrCu5 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 Cu(1) atoms to form CrTa6Cr4Cu2 cuboctahedra that share  a cornercorner with one Cr(3)Ta6Cr4Cu2 cuboctahedra, corners with three equivalent Cr(1)Ta6CrCu5 cuboctahedra, corners with three equivalent C(1)Ta6 octahedra,  a faceface with one Cr(3)Ta6Cr4Cu2 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr2Cu4 cuboctahedra, faces with two equivalent Cr(1)Ta6CrCu5 cuboctahedra,  a faceface with one C(1)Ta6 octahedra, and faces with two equivalent C(2)Ta6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent Cu sites. In the first Cu site, Cu(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 Cu(1) atom. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to one Ta(2), one Ta(4), two equivalent Ta(3), two equivalent Ta(6), one Cr(1), two equivalent Cr(2), one Cu(2), and two equivalent Cu(3) atoms. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to one Ta(1), one Ta(5), two equivalent Ta(3), two equivalent Ta(6), one Cr(2), two equivalent Cr(1), one Cu(3), and two equivalent Cu(2) atoms. 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)Ta6Cr4Cu2 cuboctahedra, corners with two equivalent C(1)Ta6 octahedra, corners with four equivalent C(2)Ta6 octahedra, edges with two equivalent Cr(1)Ta6CrCu5 cuboctahedra, edges with four equivalent Cr(2)Ta6Cr2Cu4 cuboctahedra, and  a faceface with one Cr(3)Ta6Cr4Cu2 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-44°. 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 two equivalent C(2)Ta6 octahedra, corners with four equivalent C(1)Ta6 octahedra, edges with two equivalent Cr(2)Ta6Cr2Cu4 cuboctahedra, edges with four equivalent Cr(1)Ta6CrCu5 cuboctahedra, and faces with two equivalent Cr(3)Ta6Cr4Cu2 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-43°. is represented by the CIF card [CIF]
data_Ta6Cr3Cu3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.131
_cell_length_b   8.131
_cell_length_c   8.131
_cell_angle_alpha   120.473
_cell_angle_beta   119.624
_cell_angle_gamma   89.917
_symmetry_Int_Tables_number   1
_cell_volume   379.873
_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  0.569  0.069  0.500  1.0
  Ta  Ta1  1  0.183  0.683  0.500  1.0
  Ta  Ta2  1  0.180  0.069  0.501  1.0
  Ta  Ta3  1  0.568  0.679  0.499  1.0
  Ta  Ta4  1  0.568  0.069  0.890  1.0
  Ta  Ta5  1  0.180  0.679  0.110  1.0
  Ta  Ta6  1  0.932  0.932  0.000  1.0
  Ta  Ta7  1  0.317  0.317  0.000  1.0
  Ta  Ta8  1  0.317  0.936  0.003  1.0
  Ta  Ta9  1  0.933  0.315  0.997  1.0
  Ta  Ta10  1  0.933  0.936  0.618  1.0
  Ta  Ta11  1  0.317  0.315  0.382  1.0
  Cr  Cr12  1  0.741  0.495  0.247  1.0
  Cr  Cr13  1  0.248  0.495  0.753  1.0
  Cr  Cr14  1  0.749  0.483  0.733  1.0
  Cr  Cr15  1  0.749  0.016  0.267  1.0
  Cr  Cr16  1  0.954  0.301  0.653  1.0
  Cr  Cr17  1  0.648  0.301  0.347  1.0
  Cu  Cu18  1  0.959  0.296  0.337  1.0
  Cu  Cu19  1  0.959  0.622  0.663  1.0
  Cu  Cu20  1  0.544  0.706  0.838  1.0
  Cu  Cu21  1  0.869  0.706  0.162  1.0
  Cu  Cu22  1  0.543  0.706  0.163  1.0
  Cu  Cu23  1  0.543  0.380  0.837  1.0
  C  C24  1  0.247  0.998  0.250  1.0
  C  C25  1  0.748  0.998  0.750  1.0
  C  C26  1  0.249  0.999  0.750  1.0
  C  C27  1  0.249  0.500  0.250  1.0
[/CIF]
.
The material structure described by Ta6Cr3Cu3C2 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 Cu(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 Cu(1), two equivalent Cu(2), and two equivalent C(2) atoms. In the third Ta site, Ta(3) is bonded in a 2-coordinate geometry to one Cr(1), one Cr(2), one Cr(3), one Cu(1), one Cu(2), one Cu(3), one C(1), and one C(2) atom. In the fourth Ta site, Ta(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Cr(2), two equivalent Cu(1), two equivalent Cu(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 Cu(3), and two equivalent C(2) atoms. In the sixth Ta site, Ta(6) is bonded in a distorted bent 150 degrees geometry to one Cr(1), one Cr(2), one Cr(3), one Cu(1), one Cu(2), one Cu(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 Cu(2), two equivalent Cu(1), and two equivalent Cu(3) atoms to form distorted CrTa6CrCu5 cuboctahedra that share corners with three equivalent Cr(3)Ta6Cr4Cu2 cuboctahedra, edges with two equivalent C(1)Ta6 octahedra, edges with four equivalent C(2)Ta6 octahedra, faces with two equivalent Cr(3)Ta6Cr4Cu2 cuboctahedra, faces with two equivalent Cr(1)Ta6CrCu5 cuboctahedra, and faces with four equivalent Cr(2)Ta6Cr2Cu4 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 Cu(1), one Cu(3), and two equivalent Cu(2) atoms to form distorted CrTa6Cr2Cu4 cuboctahedra that share edges with two equivalent C(2)Ta6 octahedra, edges with four equivalent C(1)Ta6 octahedra, faces with two equivalent Cr(2)Ta6Cr2Cu4 cuboctahedra, faces with two equivalent Cr(3)Ta6Cr4Cu2 cuboctahedra, and faces with four equivalent Cr(1)Ta6CrCu5 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 Cu(1) atoms to form CrTa6Cr4Cu2 cuboctahedra that share  a cornercorner with one Cr(3)Ta6Cr4Cu2 cuboctahedra, corners with three equivalent Cr(1)Ta6CrCu5 cuboctahedra, corners with three equivalent C(1)Ta6 octahedra,  a faceface with one Cr(3)Ta6Cr4Cu2 cuboctahedra, faces with two equivalent Cr(2)Ta6Cr2Cu4 cuboctahedra, faces with two equivalent Cr(1)Ta6CrCu5 cuboctahedra,  a faceface with one C(1)Ta6 octahedra, and faces with two equivalent C(2)Ta6 octahedra. The corner-sharing octahedral tilt angles range from 43-44°. There are three inequivalent Cu sites. In the first Cu site, Cu(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 Cu(1) atom. In the second Cu site, Cu(2) is bonded in a 12-coordinate geometry to one Ta(2), one Ta(4), two equivalent Ta(3), two equivalent Ta(6), one Cr(1), two equivalent Cr(2), one Cu(2), and two equivalent Cu(3) atoms. In the third Cu site, Cu(3) is bonded in a 12-coordinate geometry to one Ta(1), one Ta(5), two equivalent Ta(3), two equivalent Ta(6), one Cr(2), two equivalent Cr(1), one Cu(3), and two equivalent Cu(2) atoms. 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)Ta6Cr4Cu2 cuboctahedra, corners with two equivalent C(1)Ta6 octahedra, corners with four equivalent C(2)Ta6 octahedra, edges with two equivalent Cr(1)Ta6CrCu5 cuboctahedra, edges with four equivalent Cr(2)Ta6Cr2Cu4 cuboctahedra, and  a faceface with one Cr(3)Ta6Cr4Cu2 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-44°. 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 two equivalent C(2)Ta6 octahedra, corners with four equivalent C(1)Ta6 octahedra, edges with two equivalent Cr(2)Ta6Cr2Cu4 cuboctahedra, edges with four equivalent Cr(1)Ta6CrCu5 cuboctahedra, and faces with two equivalent Cr(3)Ta6Cr4Cu2 cuboctahedra. The corner-sharing octahedral tilt angles range from 41-43°. is represented by the CIF card [CIF]
data_Ta6Cr3Cu3C2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.131
_cell_length_b   8.131
_cell_length_c   8.131
_cell_angle_alpha   120.473
_cell_angle_beta   119.624
_cell_angle_gamma   89.917
_symmetry_Int_Tables_number   1
_cell_volume   379.873
_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  0.569  0.069  0.500  1.0
  Ta  Ta1  1  0.183  0.683  0.500  1.0
  Ta  Ta2  1  0.180  0.069  0.501  1.0
  Ta  Ta3  1  0.568  0.679  0.499  1.0
  Ta  Ta4  1  0.568  0.069  0.890  1.0
  Ta  Ta5  1  0.180  0.679  0.110  1.0
  Ta  Ta6  1  0.932  0.932  0.000  1.0
  Ta  Ta7  1  0.317  0.317  0.000  1.0
  Ta  Ta8  1  0.317  0.936  0.003  1.0
  Ta  Ta9  1  0.933  0.315  0.997  1.0
  Ta  Ta10  1  0.933  0.936  0.618  1.0
  Ta  Ta11  1  0.317  0.315  0.382  1.0
  Cr  Cr12  1  0.741  0.495  0.247  1.0
  Cr  Cr13  1  0.248  0.495  0.753  1.0
  Cr  Cr14  1  0.749  0.483  0.733  1.0
  Cr  Cr15  1  0.749  0.016  0.267  1.0
  Cr  Cr16  1  0.954  0.301  0.653  1.0
  Cr  Cr17  1  0.648  0.301  0.347  1.0
  Cu  Cu18  1  0.959  0.296  0.337  1.0
  Cu  Cu19  1  0.959  0.622  0.663  1.0
  Cu  Cu20  1  0.544  0.706  0.838  1.0
  Cu  Cu21  1  0.869  0.706  0.162  1.0
  Cu  Cu22  1  0.543  0.706  0.163  1.0
  Cu  Cu23  1  0.543  0.380  0.837  1.0
  C  C24  1  0.247  0.998  0.250  1.0
  C  C25  1  0.748  0.998  0.750  1.0
  C  C26  1  0.249  0.999  0.750  1.0
  C  C27  1  0.249  0.500  0.250  1.0
[/CIF]
.