The compound described by ZrVCu crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); one V(3); two equivalent V(1); two equivalent V(2); three equivalent Cu(1); and four equivalent Cu(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); one V(1); two equivalent V(3); four equivalent V(2); two equivalent Cu(2); and three equivalent Cu(1) atoms. In the third Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), one V(1), two equivalent V(3), four equivalent V(2), two equivalent Cu(2), and three equivalent Cu(1) atoms. In the fourth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one V(3), two equivalent V(1), two equivalent V(2), three equivalent Cu(1), and four equivalent Cu(2) atoms. In the fifth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); one V(3); two equivalent V(1); two equivalent V(2); three equivalent Cu(1); and four equivalent Cu(2) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two Zr(2,2); four Zr(1,1); two equivalent Cu(1); and four equivalent Cu(2) atoms to form distorted VZr6Cu6 cuboctahedra that share corners with two equivalent V(3)Zr6V4Cu2 cuboctahedra, corners with four equivalent V(1)Zr6Cu6 cuboctahedra, corners with four equivalent Cu(1)Zr6V4Cu2 cuboctahedra, corners with eight equivalent V(2)Zr6V4Cu2 cuboctahedra, edges with two equivalent V(1)Zr6Cu6 cuboctahedra, edges with four equivalent V(3)Zr6V4Cu2 cuboctahedra, faces with four equivalent V(2)Zr6V4Cu2 cuboctahedra, faces with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra, and faces with eight equivalent Cu(2)Zr6V2Cu4 cuboctahedra. In the second V site, V(2) is bonded to two Zr(1,1); four Zr(2,2); two equivalent V(2); two equivalent V(3); and two equivalent Cu(1) atoms to form distorted VZr6V4Cu2 cuboctahedra that share corners with four equivalent V(1)Zr6Cu6 cuboctahedra, corners with four equivalent V(2)Zr6V4Cu2 cuboctahedra, corners with four equivalent Cu(1)Zr6V4Cu2 cuboctahedra, corners with six equivalent Cu(2)Zr6V2Cu4 cuboctahedra, edges with two equivalent V(2)Zr6V4Cu2 cuboctahedra, edges with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, faces with two equivalent V(1)Zr6Cu6 cuboctahedra, faces with two equivalent Cu(2)Zr6V2Cu4 cuboctahedra, faces with four equivalent V(2)Zr6V4Cu2 cuboctahedra, faces with four equivalent V(3)Zr6V4Cu2 cuboctahedra, and faces with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra. In the third V site, V(3) is bonded to two Zr(1,1); four Zr(2,2); four equivalent V(2); and two equivalent Cu(1) atoms to form distorted VZr6V4Cu2 cuboctahedra that share corners with two equivalent V(1)Zr6Cu6 cuboctahedra, corners with four equivalent V(3)Zr6V4Cu2 cuboctahedra, corners with four equivalent Cu(1)Zr6V4Cu2 cuboctahedra, corners with eight equivalent Cu(2)Zr6V2Cu4 cuboctahedra, edges with two equivalent V(3)Zr6V4Cu2 cuboctahedra, edges with four equivalent V(1)Zr6Cu6 cuboctahedra, faces with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, faces with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra, and faces with eight equivalent V(2)Zr6V4Cu2 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three Zr(1,1); three Zr(2,2); one V(1); one V(3); two equivalent V(2); and two equivalent Cu(2) atoms to form CuZr6V4Cu2 cuboctahedra that share corners with two equivalent V(1)Zr6Cu6 cuboctahedra, corners with two equivalent V(3)Zr6V4Cu2 cuboctahedra, corners with four equivalent V(2)Zr6V4Cu2 cuboctahedra, corners with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, edges with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra, faces with two equivalent Cu(1)Zr6V4Cu2 cuboctahedra, faces with three equivalent V(1)Zr6Cu6 cuboctahedra, faces with three equivalent V(3)Zr6V4Cu2 cuboctahedra, faces with six equivalent V(2)Zr6V4Cu2 cuboctahedra, and faces with six equivalent Cu(2)Zr6V2Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded to two Zr(2,2); four Zr(1,1,1); two equivalent V(1); two equivalent Cu(1); and two equivalent Cu(2) atoms to form distorted CuZr6V2Cu4 cuboctahedra that share corners with four equivalent V(3)Zr6V4Cu2 cuboctahedra, corners with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, corners with four equivalent Cu(1)Zr6V4Cu2 cuboctahedra, corners with six equivalent V(2)Zr6V4Cu2 cuboctahedra, edges with two equivalent Cu(2)Zr6V2Cu4 cuboctahedra, edges with four equivalent V(2)Zr6V4Cu2 cuboctahedra, faces with two equivalent V(2)Zr6V4Cu2 cuboctahedra, faces with two equivalent V(3)Zr6V4Cu2 cuboctahedra, faces with four equivalent V(1)Zr6Cu6 cuboctahedra, faces with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, and faces with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra. is represented by the CIF file [CIF]
data_ZrVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   8.462
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.119
_symmetry_Int_Tables_number   1
_cell_volume   195.418
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.328  0.672  0.185  1.0
  Zr  Zr1  1  0.664  0.336  0.311  1.0
  Zr  Zr2  1  0.664  0.336  0.689  1.0
  Zr  Zr3  1  0.328  0.672  0.815  1.0
  V  V4  1  0.835  0.165  0.000  1.0
  V  V5  1  0.176  0.346  0.500  1.0
  V  V6  1  0.654  0.824  0.500  1.0
  V  V7  1  0.177  0.823  0.500  1.0
  Cu  Cu8  1  0.000  1.000  0.247  1.0
  Cu  Cu9  1  0.000  1.000  0.753  1.0
  Cu  Cu10  1  0.832  0.661  0.000  1.0
  Cu  Cu11  1  0.339  0.168  0.000  1.0
[/CIF]
.
The compound described by ZrVCu crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); one V(3); two equivalent V(1); two equivalent V(2); three equivalent Cu(1); and four equivalent Cu(2) atoms. In the second Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2); three Zr(1,1); one V(1); two equivalent V(3); four equivalent V(2); two equivalent Cu(2); and three equivalent Cu(1) atoms. In the third Zr site, Zr(2) is bonded in a 16-coordinate geometry to one Zr(2), three equivalent Zr(1), one V(1), two equivalent V(3), four equivalent V(2), two equivalent Cu(2), and three equivalent Cu(1) atoms. In the fourth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1), three equivalent Zr(2), one V(3), two equivalent V(1), two equivalent V(2), three equivalent Cu(1), and four equivalent Cu(2) atoms. In the fifth Zr site, Zr(1) is bonded in a 16-coordinate geometry to one Zr(1); three Zr(2,2); one V(3); two equivalent V(1); two equivalent V(2); three equivalent Cu(1); and four equivalent Cu(2) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to two Zr(2,2); four Zr(1,1); two equivalent Cu(1); and four equivalent Cu(2) atoms to form distorted VZr6Cu6 cuboctahedra that share corners with two equivalent V(3)Zr6V4Cu2 cuboctahedra, corners with four equivalent V(1)Zr6Cu6 cuboctahedra, corners with four equivalent Cu(1)Zr6V4Cu2 cuboctahedra, corners with eight equivalent V(2)Zr6V4Cu2 cuboctahedra, edges with two equivalent V(1)Zr6Cu6 cuboctahedra, edges with four equivalent V(3)Zr6V4Cu2 cuboctahedra, faces with four equivalent V(2)Zr6V4Cu2 cuboctahedra, faces with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra, and faces with eight equivalent Cu(2)Zr6V2Cu4 cuboctahedra. In the second V site, V(2) is bonded to two Zr(1,1); four Zr(2,2); two equivalent V(2); two equivalent V(3); and two equivalent Cu(1) atoms to form distorted VZr6V4Cu2 cuboctahedra that share corners with four equivalent V(1)Zr6Cu6 cuboctahedra, corners with four equivalent V(2)Zr6V4Cu2 cuboctahedra, corners with four equivalent Cu(1)Zr6V4Cu2 cuboctahedra, corners with six equivalent Cu(2)Zr6V2Cu4 cuboctahedra, edges with two equivalent V(2)Zr6V4Cu2 cuboctahedra, edges with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, faces with two equivalent V(1)Zr6Cu6 cuboctahedra, faces with two equivalent Cu(2)Zr6V2Cu4 cuboctahedra, faces with four equivalent V(2)Zr6V4Cu2 cuboctahedra, faces with four equivalent V(3)Zr6V4Cu2 cuboctahedra, and faces with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra. In the third V site, V(3) is bonded to two Zr(1,1); four Zr(2,2); four equivalent V(2); and two equivalent Cu(1) atoms to form distorted VZr6V4Cu2 cuboctahedra that share corners with two equivalent V(1)Zr6Cu6 cuboctahedra, corners with four equivalent V(3)Zr6V4Cu2 cuboctahedra, corners with four equivalent Cu(1)Zr6V4Cu2 cuboctahedra, corners with eight equivalent Cu(2)Zr6V2Cu4 cuboctahedra, edges with two equivalent V(3)Zr6V4Cu2 cuboctahedra, edges with four equivalent V(1)Zr6Cu6 cuboctahedra, faces with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, faces with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra, and faces with eight equivalent V(2)Zr6V4Cu2 cuboctahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to three Zr(1,1); three Zr(2,2); one V(1); one V(3); two equivalent V(2); and two equivalent Cu(2) atoms to form CuZr6V4Cu2 cuboctahedra that share corners with two equivalent V(1)Zr6Cu6 cuboctahedra, corners with two equivalent V(3)Zr6V4Cu2 cuboctahedra, corners with four equivalent V(2)Zr6V4Cu2 cuboctahedra, corners with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, edges with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra, faces with two equivalent Cu(1)Zr6V4Cu2 cuboctahedra, faces with three equivalent V(1)Zr6Cu6 cuboctahedra, faces with three equivalent V(3)Zr6V4Cu2 cuboctahedra, faces with six equivalent V(2)Zr6V4Cu2 cuboctahedra, and faces with six equivalent Cu(2)Zr6V2Cu4 cuboctahedra. In the second Cu site, Cu(2) is bonded to two Zr(2,2); four Zr(1,1,1); two equivalent V(1); two equivalent Cu(1); and two equivalent Cu(2) atoms to form distorted CuZr6V2Cu4 cuboctahedra that share corners with four equivalent V(3)Zr6V4Cu2 cuboctahedra, corners with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, corners with four equivalent Cu(1)Zr6V4Cu2 cuboctahedra, corners with six equivalent V(2)Zr6V4Cu2 cuboctahedra, edges with two equivalent Cu(2)Zr6V2Cu4 cuboctahedra, edges with four equivalent V(2)Zr6V4Cu2 cuboctahedra, faces with two equivalent V(2)Zr6V4Cu2 cuboctahedra, faces with two equivalent V(3)Zr6V4Cu2 cuboctahedra, faces with four equivalent V(1)Zr6Cu6 cuboctahedra, faces with four equivalent Cu(2)Zr6V2Cu4 cuboctahedra, and faces with six equivalent Cu(1)Zr6V4Cu2 cuboctahedra. is represented by the CIF file [CIF]
data_ZrVCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.194
_cell_length_b   5.194
_cell_length_c   8.462
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   121.119
_symmetry_Int_Tables_number   1
_cell_volume   195.418
_cell_formula_units_Z   4
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
  Zr  Zr0  1  0.328  0.672  0.185  1.0
  Zr  Zr1  1  0.664  0.336  0.311  1.0
  Zr  Zr2  1  0.664  0.336  0.689  1.0
  Zr  Zr3  1  0.328  0.672  0.815  1.0
  V  V4  1  0.835  0.165  0.000  1.0
  V  V5  1  0.176  0.346  0.500  1.0
  V  V6  1  0.654  0.824  0.500  1.0
  V  V7  1  0.177  0.823  0.500  1.0
  Cu  Cu8  1  0.000  1.000  0.247  1.0
  Cu  Cu9  1  0.000  1.000  0.753  1.0
  Cu  Cu10  1  0.832  0.661  0.000  1.0
  Cu  Cu11  1  0.339  0.168  0.000  1.0
[/CIF]
.