The structure described by HfMoC2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to two equivalent C(1) and four equivalent C(2) atoms to form HfC6 octahedra that share corners with six equivalent Hf(1)C6 octahedra, edges with four equivalent Hf(1)C6 octahedra, and edges with eight equivalent Mo(1)C6 octahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to two equivalent C(2) and four equivalent C(1) atoms to form MoC6 octahedra that share corners with six equivalent Mo(1)C6 octahedra, edges with four equivalent Mo(1)C6 octahedra, and edges with eight equivalent Hf(1)C6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Hf(1) and four equivalent Mo(1) atoms to form CHf2Mo4 octahedra that share corners with six equivalent C(1)Hf2Mo4 octahedra, edges with four equivalent C(1)Hf2Mo4 octahedra, and edges with eight equivalent C(2)Hf4Mo2 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to four equivalent Hf(1) and two equivalent Mo(1) atoms to form CHf4Mo2 octahedra that share corners with six equivalent C(2)Hf4Mo2 octahedra, edges with four equivalent C(2)Hf4Mo2 octahedra, and edges with eight equivalent C(1)Hf2Mo4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfMoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.191
_cell_length_b   3.191
_cell_length_c   4.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.682
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.000  0.000  0.500  1.0
  C  C3  1  0.500  0.500  0.000  1.0
[/CIF]
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The structure described by HfMoC2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. Hf(1) is bonded to two equivalent C(1) and four equivalent C(2) atoms to form HfC6 octahedra that share corners with six equivalent Hf(1)C6 octahedra, edges with four equivalent Hf(1)C6 octahedra, and edges with eight equivalent Mo(1)C6 octahedra. The corner-sharing octahedra are not tilted. Mo(1) is bonded to two equivalent C(2) and four equivalent C(1) atoms to form MoC6 octahedra that share corners with six equivalent Mo(1)C6 octahedra, edges with four equivalent Mo(1)C6 octahedra, and edges with eight equivalent Hf(1)C6 octahedra. The corner-sharing octahedra are not tilted. There are two inequivalent C sites. In the first C site, C(1) is bonded to two equivalent Hf(1) and four equivalent Mo(1) atoms to form CHf2Mo4 octahedra that share corners with six equivalent C(1)Hf2Mo4 octahedra, edges with four equivalent C(1)Hf2Mo4 octahedra, and edges with eight equivalent C(2)Hf4Mo2 octahedra. The corner-sharing octahedra are not tilted. In the second C site, C(2) is bonded to four equivalent Hf(1) and two equivalent Mo(1) atoms to form CHf4Mo2 octahedra that share corners with six equivalent C(2)Hf4Mo2 octahedra, edges with four equivalent C(2)Hf4Mo2 octahedra, and edges with eight equivalent C(1)Hf2Mo4 octahedra. The corner-sharing octahedra are not tilted. is represented by the Crystallographic Information File (CIF) [CIF]
data_HfMoC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.191
_cell_length_b   3.191
_cell_length_c   4.485
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   45.682
_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  0.000  0.000  0.000  1.0
  Mo  Mo1  1  0.500  0.500  0.500  1.0
  C  C2  1  0.000  0.000  0.500  1.0
  C  C3  1  0.500  0.500  0.000  1.0
[/CIF]
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