The crystal structure described by MgHf3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Hf(1) atoms to form MgHf12 cuboctahedra that share corners with six equivalent Mg(1)Hf12 cuboctahedra, corners with twelve equivalent Hf(1)Hf8Mg4 cuboctahedra, edges with eighteen equivalent Hf(1)Hf8Mg4 cuboctahedra, faces with eight equivalent Mg(1)Hf12 cuboctahedra, and faces with twelve equivalent Hf(1)Hf8Mg4 cuboctahedra. Hf(1) is bonded to four equivalent Mg(1) and eight equivalent Hf(1) atoms to form HfHf8Mg4 cuboctahedra that share corners with four equivalent Mg(1)Hf12 cuboctahedra, corners with fourteen equivalent Hf(1)Hf8Mg4 cuboctahedra, edges with six equivalent Mg(1)Hf12 cuboctahedra, edges with twelve equivalent Hf(1)Hf8Mg4 cuboctahedra, faces with four equivalent Mg(1)Hf12 cuboctahedra, and faces with sixteen equivalent Hf(1)Hf8Mg4 cuboctahedra. is represented by the CIF card [CIF]
data_Hf3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.284
_cell_length_b   6.284
_cell_length_c   5.104
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   174.569
_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  0.664  0.832  0.750  1.0
  Hf  Hf1  1  0.168  0.336  0.750  1.0
  Hf  Hf2  1  0.168  0.832  0.750  1.0
  Hf  Hf3  1  0.832  0.664  0.250  1.0
  Hf  Hf4  1  0.832  0.168  0.250  1.0
  Hf  Hf5  1  0.336  0.168  0.250  1.0
  Mg  Mg6  1  0.667  0.333  0.750  1.0
  Mg  Mg7  1  0.333  0.667  0.250  1.0
[/CIF]
.
The crystal structure described by MgHf3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. Mg(1) is bonded to twelve equivalent Hf(1) atoms to form MgHf12 cuboctahedra that share corners with six equivalent Mg(1)Hf12 cuboctahedra, corners with twelve equivalent Hf(1)Hf8Mg4 cuboctahedra, edges with eighteen equivalent Hf(1)Hf8Mg4 cuboctahedra, faces with eight equivalent Mg(1)Hf12 cuboctahedra, and faces with twelve equivalent Hf(1)Hf8Mg4 cuboctahedra. Hf(1) is bonded to four equivalent Mg(1) and eight equivalent Hf(1) atoms to form HfHf8Mg4 cuboctahedra that share corners with four equivalent Mg(1)Hf12 cuboctahedra, corners with fourteen equivalent Hf(1)Hf8Mg4 cuboctahedra, edges with six equivalent Mg(1)Hf12 cuboctahedra, edges with twelve equivalent Hf(1)Hf8Mg4 cuboctahedra, faces with four equivalent Mg(1)Hf12 cuboctahedra, and faces with sixteen equivalent Hf(1)Hf8Mg4 cuboctahedra. is represented by the CIF card [CIF]
data_Hf3Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.284
_cell_length_b   6.284
_cell_length_c   5.104
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   174.569
_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  0.664  0.832  0.750  1.0
  Hf  Hf1  1  0.168  0.336  0.750  1.0
  Hf  Hf2  1  0.168  0.832  0.750  1.0
  Hf  Hf3  1  0.832  0.664  0.250  1.0
  Hf  Hf4  1  0.832  0.168  0.250  1.0
  Hf  Hf5  1  0.336  0.168  0.250  1.0
  Mg  Mg6  1  0.667  0.333  0.750  1.0
  Mg  Mg7  1  0.333  0.667  0.250  1.0
[/CIF]
.