The material described by BaHfMo is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to four equivalent Mo(1) atoms to form distorted BaMo4 tetrahedra that share corners with four equivalent Hf(1)Mo4 tetrahedra, corners with twelve equivalent Ba(1)Mo4 tetrahedra, and edges with six equivalent Hf(1)Mo4 tetrahedra. Hf(1) is bonded to four equivalent Mo(1) atoms to form distorted HfMo4 tetrahedra that share corners with four equivalent Ba(1)Mo4 tetrahedra, corners with twelve equivalent Hf(1)Mo4 tetrahedra, and edges with six equivalent Ba(1)Mo4 tetrahedra. Mo(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_BaHfMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.878
_cell_length_b   4.878
_cell_length_c   4.878
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   82.071
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Hf  Hf1  1  0.250  0.250  0.250  1.0
  Mo  Mo2  1  0.500  0.500  0.500  1.0
[/CIF]
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The material described by BaHfMo is half-Heusler structured and crystallizes in the cubic F-43m space group. Ba(1) is bonded to four equivalent Mo(1) atoms to form distorted BaMo4 tetrahedra that share corners with four equivalent Hf(1)Mo4 tetrahedra, corners with twelve equivalent Ba(1)Mo4 tetrahedra, and edges with six equivalent Hf(1)Mo4 tetrahedra. Hf(1) is bonded to four equivalent Mo(1) atoms to form distorted HfMo4 tetrahedra that share corners with four equivalent Ba(1)Mo4 tetrahedra, corners with twelve equivalent Hf(1)Mo4 tetrahedra, and edges with six equivalent Ba(1)Mo4 tetrahedra. Mo(1) is bonded in a body-centered cubic geometry to four equivalent Ba(1) and four equivalent Hf(1) atoms. is represented by the CIF card [CIF]
data_BaHfMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.878
_cell_length_b   4.878
_cell_length_c   4.878
_cell_angle_alpha   60.000
_cell_angle_beta   60.000
_cell_angle_gamma   60.000
_symmetry_Int_Tables_number   1
_cell_volume   82.071
_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
  Ba  Ba0  1  0.750  0.750  0.750  1.0
  Hf  Hf1  1  0.250  0.250  0.250  1.0
  Mo  Mo2  1  0.500  0.500  0.500  1.0
[/CIF]
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