The compound described by Zr2VRe3 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), three equivalent V(1), and nine equivalent Re(1) atoms. V(1) is bonded to six equivalent Zr(1) and six equivalent Re(1) atoms to form VZr6Re6 cuboctahedra that share corners with twelve equivalent Re(1)Zr6V2Re4 cuboctahedra, edges with six equivalent V(1)Zr6Re6 cuboctahedra, faces with two equivalent V(1)Zr6Re6 cuboctahedra, and faces with eighteen equivalent Re(1)Zr6V2Re4 cuboctahedra. Re(1) is bonded to six equivalent Zr(1), two equivalent V(1), and four equivalent Re(1) atoms to form distorted ReZr6V2Re4 cuboctahedra that share corners with four equivalent V(1)Zr6Re6 cuboctahedra, corners with fourteen equivalent Re(1)Zr6V2Re4 cuboctahedra, edges with six equivalent Re(1)Zr6V2Re4 cuboctahedra, faces with six equivalent V(1)Zr6Re6 cuboctahedra, and faces with twelve equivalent Re(1)Zr6V2Re4 cuboctahedra. is represented by the CIF card [CIF]
data_Zr2VRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.302
_cell_length_b   5.302
_cell_length_c   8.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   206.438
_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
  Zr  Zr0  1  0.333  0.667  0.438  1.0
  Zr  Zr1  1  0.667  0.333  0.562  1.0
  Zr  Zr2  1  0.667  0.333  0.938  1.0
  Zr  Zr3  1  0.333  0.667  0.062  1.0
  V  V4  1  0.000  0.000  0.500  1.0
  V  V5  1  0.000  0.000  1.000  1.0
  Re  Re6  1  0.831  0.169  0.250  1.0
  Re  Re7  1  0.831  0.662  0.250  1.0
  Re  Re8  1  0.338  0.169  0.250  1.0
  Re  Re9  1  0.169  0.831  0.750  1.0
  Re  Re10  1  0.169  0.338  0.750  1.0
  Re  Re11  1  0.662  0.831  0.750  1.0
[/CIF]
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The compound described by Zr2VRe3 crystallizes in the hexagonal P6_3/mmc space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1), three equivalent V(1), and nine equivalent Re(1) atoms. V(1) is bonded to six equivalent Zr(1) and six equivalent Re(1) atoms to form VZr6Re6 cuboctahedra that share corners with twelve equivalent Re(1)Zr6V2Re4 cuboctahedra, edges with six equivalent V(1)Zr6Re6 cuboctahedra, faces with two equivalent V(1)Zr6Re6 cuboctahedra, and faces with eighteen equivalent Re(1)Zr6V2Re4 cuboctahedra. Re(1) is bonded to six equivalent Zr(1), two equivalent V(1), and four equivalent Re(1) atoms to form distorted ReZr6V2Re4 cuboctahedra that share corners with four equivalent V(1)Zr6Re6 cuboctahedra, corners with fourteen equivalent Re(1)Zr6V2Re4 cuboctahedra, edges with six equivalent Re(1)Zr6V2Re4 cuboctahedra, faces with six equivalent V(1)Zr6Re6 cuboctahedra, and faces with twelve equivalent Re(1)Zr6V2Re4 cuboctahedra. is represented by the CIF card [CIF]
data_Zr2VRe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.302
_cell_length_b   5.302
_cell_length_c   8.481
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   206.438
_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
  Zr  Zr0  1  0.333  0.667  0.438  1.0
  Zr  Zr1  1  0.667  0.333  0.562  1.0
  Zr  Zr2  1  0.667  0.333  0.938  1.0
  Zr  Zr3  1  0.333  0.667  0.062  1.0
  V  V4  1  0.000  0.000  0.500  1.0
  V  V5  1  0.000  0.000  1.000  1.0
  Re  Re6  1  0.831  0.169  0.250  1.0
  Re  Re7  1  0.831  0.662  0.250  1.0
  Re  Re8  1  0.338  0.169  0.250  1.0
  Re  Re9  1  0.169  0.831  0.750  1.0
  Re  Re10  1  0.169  0.338  0.750  1.0
  Re  Re11  1  0.662  0.831  0.750  1.0
[/CIF]
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