The material structure described by MoSiHf is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. Hf(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1) and five equivalent Si(1) atoms. Mo(1) is bonded in a 8-coordinate geometry to four equivalent Hf(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Hf(1) and four equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_HfSiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.480
_cell_length_b   6.935
_cell_length_c   8.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.116
_cell_formula_units_Z   4
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  0.250  0.545  0.833  1.0
  Hf  Hf1  1  0.750  0.455  0.167  1.0
  Hf  Hf2  1  0.250  0.045  0.667  1.0
  Hf  Hf3  1  0.750  0.955  0.333  1.0
  Si  Si4  1  0.250  0.756  0.137  1.0
  Si  Si5  1  0.750  0.244  0.863  1.0
  Si  Si6  1  0.250  0.256  0.363  1.0
  Si  Si7  1  0.750  0.744  0.637  1.0
  Mo  Mo8  1  0.750  0.866  0.937  1.0
  Mo  Mo9  1  0.250  0.134  0.063  1.0
  Mo  Mo10  1  0.750  0.366  0.563  1.0
  Mo  Mo11  1  0.250  0.634  0.437  1.0
[/CIF]
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The material structure described by MoSiHf is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. Hf(1) is bonded in a 9-coordinate geometry to four equivalent Mo(1) and five equivalent Si(1) atoms. Mo(1) is bonded in a 8-coordinate geometry to four equivalent Hf(1) and four equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to five equivalent Hf(1) and four equivalent Mo(1) atoms. is represented by the CIF file [CIF]
data_HfSiMo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.480
_cell_length_b   6.935
_cell_length_c   8.168
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   197.116
_cell_formula_units_Z   4
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  0.250  0.545  0.833  1.0
  Hf  Hf1  1  0.750  0.455  0.167  1.0
  Hf  Hf2  1  0.250  0.045  0.667  1.0
  Hf  Hf3  1  0.750  0.955  0.333  1.0
  Si  Si4  1  0.250  0.756  0.137  1.0
  Si  Si5  1  0.750  0.244  0.863  1.0
  Si  Si6  1  0.250  0.256  0.363  1.0
  Si  Si7  1  0.750  0.744  0.637  1.0
  Mo  Mo8  1  0.750  0.866  0.937  1.0
  Mo  Mo9  1  0.250  0.134  0.063  1.0
  Mo  Mo10  1  0.750  0.366  0.563  1.0
  Mo  Mo11  1  0.250  0.634  0.437  1.0
[/CIF]
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