The crystal structure described by Hf2V3Ru crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), nine equivalent V(1), and three equivalent Ru(1) atoms. V(1) is bonded to six equivalent Hf(1), four equivalent V(1), and two equivalent Ru(1) atoms to form distorted VHf6V4Ru2 cuboctahedra that share corners with four equivalent Ru(1)Hf6V6 cuboctahedra, corners with fourteen equivalent V(1)Hf6V4Ru2 cuboctahedra, edges with six equivalent V(1)Hf6V4Ru2 cuboctahedra, faces with six equivalent Ru(1)Hf6V6 cuboctahedra, and faces with twelve equivalent V(1)Hf6V4Ru2 cuboctahedra. Ru(1) is bonded to six equivalent Hf(1) and six equivalent V(1) atoms to form RuHf6V6 cuboctahedra that share corners with twelve equivalent V(1)Hf6V4Ru2 cuboctahedra, edges with six equivalent Ru(1)Hf6V6 cuboctahedra, faces with two equivalent Ru(1)Hf6V6 cuboctahedra, and faces with eighteen equivalent V(1)Hf6V4Ru2 cuboctahedra. is represented by the CIF file [CIF]
data_Hf2V3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   5.220
_cell_length_c   8.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   193.094
_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
  Hf  Hf0  1  0.333  0.667  0.439  1.0
  Hf  Hf1  1  0.667  0.333  0.561  1.0
  Hf  Hf2  1  0.667  0.333  0.939  1.0
  Hf  Hf3  1  0.333  0.667  0.061  1.0
  V  V4  1  0.830  0.170  0.250  1.0
  V  V5  1  0.830  0.660  0.250  1.0
  V  V6  1  0.340  0.170  0.250  1.0
  V  V7  1  0.170  0.830  0.750  1.0
  V  V8  1  0.170  0.340  0.750  1.0
  V  V9  1  0.660  0.830  0.750  1.0
  Ru  Ru10  1  0.000  0.000  0.500  1.0
  Ru  Ru11  1  0.000  0.000  0.000  1.0
[/CIF]
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The crystal structure described by Hf2V3Ru crystallizes in the hexagonal P6_3/mmc space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), nine equivalent V(1), and three equivalent Ru(1) atoms. V(1) is bonded to six equivalent Hf(1), four equivalent V(1), and two equivalent Ru(1) atoms to form distorted VHf6V4Ru2 cuboctahedra that share corners with four equivalent Ru(1)Hf6V6 cuboctahedra, corners with fourteen equivalent V(1)Hf6V4Ru2 cuboctahedra, edges with six equivalent V(1)Hf6V4Ru2 cuboctahedra, faces with six equivalent Ru(1)Hf6V6 cuboctahedra, and faces with twelve equivalent V(1)Hf6V4Ru2 cuboctahedra. Ru(1) is bonded to six equivalent Hf(1) and six equivalent V(1) atoms to form RuHf6V6 cuboctahedra that share corners with twelve equivalent V(1)Hf6V4Ru2 cuboctahedra, edges with six equivalent Ru(1)Hf6V6 cuboctahedra, faces with two equivalent Ru(1)Hf6V6 cuboctahedra, and faces with eighteen equivalent V(1)Hf6V4Ru2 cuboctahedra. is represented by the CIF file [CIF]
data_Hf2V3Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.220
_cell_length_b   5.220
_cell_length_c   8.184
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   193.094
_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
  Hf  Hf0  1  0.333  0.667  0.439  1.0
  Hf  Hf1  1  0.667  0.333  0.561  1.0
  Hf  Hf2  1  0.667  0.333  0.939  1.0
  Hf  Hf3  1  0.333  0.667  0.061  1.0
  V  V4  1  0.830  0.170  0.250  1.0
  V  V5  1  0.830  0.660  0.250  1.0
  V  V6  1  0.340  0.170  0.250  1.0
  V  V7  1  0.170  0.830  0.750  1.0
  V  V8  1  0.170  0.340  0.750  1.0
  V  V9  1  0.660  0.830  0.750  1.0
  Ru  Ru10  1  0.000  0.000  0.500  1.0
  Ru  Ru11  1  0.000  0.000  0.000  1.0
[/CIF]
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