The structure described by Ta2V3Cu 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 V(1), and three equivalent Cu(1) atoms. V(1) is bonded to six equivalent Ta(1), four equivalent V(1), and two equivalent Cu(1) atoms to form distorted VTa6V4Cu2 cuboctahedra that share corners with four equivalent Cu(1)Ta6V6 cuboctahedra, corners with fourteen equivalent V(1)Ta6V4Cu2 cuboctahedra, edges with six equivalent V(1)Ta6V4Cu2 cuboctahedra, faces with six equivalent Cu(1)Ta6V6 cuboctahedra, and faces with twelve equivalent V(1)Ta6V4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Ta(1) and six equivalent V(1) atoms to form CuTa6V6 cuboctahedra that share corners with twelve equivalent V(1)Ta6V4Cu2 cuboctahedra, edges with six equivalent Cu(1)Ta6V6 cuboctahedra, faces with two equivalent Cu(1)Ta6V6 cuboctahedra, and faces with eighteen equivalent V(1)Ta6V4Cu2 cuboctahedra. is represented by the CIF file [CIF]
data_Ta2V3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.948
_cell_length_b   4.948
_cell_length_c   8.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   177.865
_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  0.441  1.0
  Ta  Ta1  1  0.667  0.333  0.559  1.0
  Ta  Ta2  1  0.667  0.333  0.941  1.0
  Ta  Ta3  1  0.333  0.667  0.059  1.0
  V  V4  1  0.826  0.174  0.250  1.0
  V  V5  1  0.826  0.652  0.250  1.0
  V  V6  1  0.348  0.174  0.250  1.0
  V  V7  1  0.174  0.826  0.750  1.0
  V  V8  1  0.174  0.348  0.750  1.0
  V  V9  1  0.652  0.826  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 structure described by Ta2V3Cu 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 V(1), and three equivalent Cu(1) atoms. V(1) is bonded to six equivalent Ta(1), four equivalent V(1), and two equivalent Cu(1) atoms to form distorted VTa6V4Cu2 cuboctahedra that share corners with four equivalent Cu(1)Ta6V6 cuboctahedra, corners with fourteen equivalent V(1)Ta6V4Cu2 cuboctahedra, edges with six equivalent V(1)Ta6V4Cu2 cuboctahedra, faces with six equivalent Cu(1)Ta6V6 cuboctahedra, and faces with twelve equivalent V(1)Ta6V4Cu2 cuboctahedra. Cu(1) is bonded to six equivalent Ta(1) and six equivalent V(1) atoms to form CuTa6V6 cuboctahedra that share corners with twelve equivalent V(1)Ta6V4Cu2 cuboctahedra, edges with six equivalent Cu(1)Ta6V6 cuboctahedra, faces with two equivalent Cu(1)Ta6V6 cuboctahedra, and faces with eighteen equivalent V(1)Ta6V4Cu2 cuboctahedra. is represented by the CIF file [CIF]
data_Ta2V3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.948
_cell_length_b   4.948
_cell_length_c   8.389
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   177.865
_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  0.441  1.0
  Ta  Ta1  1  0.667  0.333  0.559  1.0
  Ta  Ta2  1  0.667  0.333  0.941  1.0
  Ta  Ta3  1  0.333  0.667  0.059  1.0
  V  V4  1  0.826  0.174  0.250  1.0
  V  V5  1  0.826  0.652  0.250  1.0
  V  V6  1  0.348  0.174  0.250  1.0
  V  V7  1  0.174  0.826  0.750  1.0
  V  V8  1  0.174  0.348  0.750  1.0
  V  V9  1  0.652  0.826  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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