The material structure described by V2Cu3Sb4 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 11-coordinate geometry to six equivalent Cu(1), two equivalent Sb(2), and three equivalent Sb(1) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to two equivalent V(2) and six equivalent Sb(1) atoms. Cu(1) is bonded in a distorted q6 geometry to two equivalent V(1), two equivalent Cu(1), two equivalent Sb(2), and four equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one V(1), two equivalent V(2), and four equivalent Cu(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent V(1) and six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Cu3Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   8.567
_cell_length_c   8.567
_cell_angle_alpha   120.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.132
_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
  V  V0  1  0.750  0.667  0.333  1.0
  V  V1  1  0.250  0.333  0.667  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.000  0.500  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.500  1.0
  Sb  Sb10  1  0.750  0.844  0.689  1.0
  Sb  Sb11  1  0.750  0.844  0.156  1.0
  Sb  Sb12  1  0.750  0.311  0.156  1.0
  Sb  Sb13  1  0.250  0.156  0.311  1.0
  Sb  Sb14  1  0.250  0.156  0.844  1.0
  Sb  Sb15  1  0.250  0.689  0.844  1.0
  Sb  Sb16  1  0.250  0.667  0.333  1.0
  Sb  Sb17  1  0.750  0.333  0.667  1.0
[/CIF]
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The material structure described by V2Cu3Sb4 crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 11-coordinate geometry to six equivalent Cu(1), two equivalent Sb(2), and three equivalent Sb(1) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to two equivalent V(2) and six equivalent Sb(1) atoms. Cu(1) is bonded in a distorted q6 geometry to two equivalent V(1), two equivalent Cu(1), two equivalent Sb(2), and four equivalent Sb(1) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one V(1), two equivalent V(2), and four equivalent Cu(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent V(1) and six equivalent Cu(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_V2Cu3Sb4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.320
_cell_length_b   8.567
_cell_length_c   8.567
_cell_angle_alpha   120.003
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   338.132
_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
  V  V0  1  0.750  0.667  0.333  1.0
  V  V1  1  0.250  0.333  0.667  1.0
  V  V2  1  0.500  0.000  0.000  1.0
  V  V3  1  0.000  0.000  0.000  1.0
  Cu  Cu4  1  0.500  0.500  0.000  1.0
  Cu  Cu5  1  0.500  0.500  0.500  1.0
  Cu  Cu6  1  0.500  0.000  0.500  1.0
  Cu  Cu7  1  0.000  0.500  0.000  1.0
  Cu  Cu8  1  0.000  0.500  0.500  1.0
  Cu  Cu9  1  0.000  0.000  0.500  1.0
  Sb  Sb10  1  0.750  0.844  0.689  1.0
  Sb  Sb11  1  0.750  0.844  0.156  1.0
  Sb  Sb12  1  0.750  0.311  0.156  1.0
  Sb  Sb13  1  0.250  0.156  0.311  1.0
  Sb  Sb14  1  0.250  0.156  0.844  1.0
  Sb  Sb15  1  0.250  0.689  0.844  1.0
  Sb  Sb16  1  0.250  0.667  0.333  1.0
  Sb  Sb17  1  0.750  0.333  0.667  1.0
[/CIF]
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