The structure described by Hf3C is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent C(1) atoms to form distorted HfHf8C4 cuboctahedra that share corners with twelve equivalent Hf(1)Hf8C4 cuboctahedra, edges with eight equivalent Hf(1)Hf8C4 cuboctahedra, edges with eight equivalent C(1)Hf12 cuboctahedra, faces with four equivalent C(1)Hf12 cuboctahedra, and faces with ten equivalent Hf(1)Hf8C4 cuboctahedra. In the second Hf site, Hf(2) is bonded in a square co-planar geometry to eight equivalent Hf(1) and four equivalent C(1) atoms. C(1) is bonded to four equivalent Hf(2) and eight equivalent Hf(1) atoms to form CHf12 cuboctahedra that share corners with four equivalent C(1)Hf12 cuboctahedra, edges with eight equivalent C(1)Hf12 cuboctahedra, edges with sixteen equivalent Hf(1)Hf8C4 cuboctahedra, faces with four equivalent C(1)Hf12 cuboctahedra, and faces with eight equivalent Hf(1)Hf8C4 cuboctahedra. is represented by the CIF card [CIF]
data_Hf3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.340
_cell_length_b   5.340
_cell_length_c   5.340
_cell_angle_alpha   136.820
_cell_angle_beta   136.820
_cell_angle_gamma   62.716
_symmetry_Int_Tables_number   1
_cell_volume   70.408
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  Hf  Hf1  1  0.250  0.750  0.500  1.0
  Hf  Hf2  1  0.500  0.500  0.000  1.0
  C  C3  1  0.000  0.000  0.000  1.0
[/CIF]
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The structure described by Hf3C is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Hf sites. In the first Hf site, Hf(1) is bonded to four equivalent Hf(1), four equivalent Hf(2), and four equivalent C(1) atoms to form distorted HfHf8C4 cuboctahedra that share corners with twelve equivalent Hf(1)Hf8C4 cuboctahedra, edges with eight equivalent Hf(1)Hf8C4 cuboctahedra, edges with eight equivalent C(1)Hf12 cuboctahedra, faces with four equivalent C(1)Hf12 cuboctahedra, and faces with ten equivalent Hf(1)Hf8C4 cuboctahedra. In the second Hf site, Hf(2) is bonded in a square co-planar geometry to eight equivalent Hf(1) and four equivalent C(1) atoms. C(1) is bonded to four equivalent Hf(2) and eight equivalent Hf(1) atoms to form CHf12 cuboctahedra that share corners with four equivalent C(1)Hf12 cuboctahedra, edges with eight equivalent C(1)Hf12 cuboctahedra, edges with sixteen equivalent Hf(1)Hf8C4 cuboctahedra, faces with four equivalent C(1)Hf12 cuboctahedra, and faces with eight equivalent Hf(1)Hf8C4 cuboctahedra. is represented by the CIF card [CIF]
data_Hf3C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.340
_cell_length_b   5.340
_cell_length_c   5.340
_cell_angle_alpha   136.820
_cell_angle_beta   136.820
_cell_angle_gamma   62.716
_symmetry_Int_Tables_number   1
_cell_volume   70.408
_cell_formula_units_Z   1
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  0.750  0.250  0.500  1.0
  Hf  Hf1  1  0.250  0.750  0.500  1.0
  Hf  Hf2  1  0.500  0.500  0.000  1.0
  C  C3  1  0.000  0.000  0.000  1.0
[/CIF]
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