The compound described by Ta2Cr3Cu crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(1), nine equivalent Cr(1), and three equivalent Cu(1) atoms. Cr(1) is bonded to six equivalent Ta(1), four equivalent Cr(1), and two equivalent Cu(1) atoms to form distorted CrTa6Cr4Cu2 cuboctahedra that share corners with four equivalent Cu(1)Ta6Cr6 cuboctahedra, corners with fourteen equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra, edges with six equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra, faces with six equivalent Cu(1)Ta6Cr6 cuboctahedra, and faces with twelve equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Ta(1) and six equivalent Cr(1) atoms to form CuTa6Cr6 cuboctahedra that share corners with twelve equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra, edges with six equivalent Cu(1)Ta6Cr6 cuboctahedra, faces with two equivalent Cu(1)Ta6Cr6 cuboctahedra, and faces with eighteen equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2Cr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.793
_cell_length_b   4.793
_cell_length_c   8.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   165.567
_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  0.333  0.667  0.434  1.0
  Ta  Ta1  1  0.667  0.333  0.566  1.0
  Ta  Ta2  1  0.667  0.333  0.934  1.0
  Ta  Ta3  1  0.333  0.667  0.066  1.0
  Cr  Cr4  1  0.829  0.171  0.250  1.0
  Cr  Cr5  1  0.829  0.658  0.250  1.0
  Cr  Cr6  1  0.342  0.171  0.250  1.0
  Cr  Cr7  1  0.171  0.829  0.750  1.0
  Cr  Cr8  1  0.171  0.342  0.750  1.0
  Cr  Cr9  1  0.658  0.829  0.750  1.0
  Cu  Cu10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Ta2Cr3Cu crystallizes in the hexagonal P6_3/mmc space group. Ta(1) is bonded in a 16-coordinate geometry to four equivalent Ta(1), nine equivalent Cr(1), and three equivalent Cu(1) atoms. Cr(1) is bonded to six equivalent Ta(1), four equivalent Cr(1), and two equivalent Cu(1) atoms to form distorted CrTa6Cr4Cu2 cuboctahedra that share corners with four equivalent Cu(1)Ta6Cr6 cuboctahedra, corners with fourteen equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra, edges with six equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra, faces with six equivalent Cu(1)Ta6Cr6 cuboctahedra, and faces with twelve equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Ta(1) and six equivalent Cr(1) atoms to form CuTa6Cr6 cuboctahedra that share corners with twelve equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra, edges with six equivalent Cu(1)Ta6Cr6 cuboctahedra, faces with two equivalent Cu(1)Ta6Cr6 cuboctahedra, and faces with eighteen equivalent Cr(1)Ta6Cr4Cu2 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_Ta2Cr3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.793
_cell_length_b   4.793
_cell_length_c   8.323
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   165.567
_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  0.333  0.667  0.434  1.0
  Ta  Ta1  1  0.667  0.333  0.566  1.0
  Ta  Ta2  1  0.667  0.333  0.934  1.0
  Ta  Ta3  1  0.333  0.667  0.066  1.0
  Cr  Cr4  1  0.829  0.171  0.250  1.0
  Cr  Cr5  1  0.829  0.658  0.250  1.0
  Cr  Cr6  1  0.342  0.171  0.250  1.0
  Cr  Cr7  1  0.171  0.829  0.750  1.0
  Cr  Cr8  1  0.171  0.342  0.750  1.0
  Cr  Cr9  1  0.658  0.829  0.750  1.0
  Cu  Cu10  1  0.000  0.000  0.500  1.0
  Cu  Cu11  1  0.000  0.000  0.000  1.0
[/CIF]
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