The material described by MgHf2 crystallizes in the tetragonal P4_2/mnm space group. Mg(1) is bonded to six equivalent Hf(1) atoms to form a mixture of distorted corner and edge-sharing MgHf6 octahedra. The corner-sharing octahedral tilt angles are 61°. Hf(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one Hf(1) atom. is represented by the CIF card [CIF]
data_Hf2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.679
_cell_length_b   5.679
_cell_length_c   4.969
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.221
_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  0.330  0.330  0.000  1.0
  Hf  Hf1  1  0.670  0.670  0.000  1.0
  Hf  Hf2  1  0.170  0.830  0.500  1.0
  Hf  Hf3  1  0.830  0.170  0.500  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.500  0.500  0.500  1.0
[/CIF]
.
The material described by MgHf2 crystallizes in the tetragonal P4_2/mnm space group. Mg(1) is bonded to six equivalent Hf(1) atoms to form a mixture of distorted corner and edge-sharing MgHf6 octahedra. The corner-sharing octahedral tilt angles are 61°. Hf(1) is bonded in a 4-coordinate geometry to three equivalent Mg(1) and one Hf(1) atom. is represented by the CIF card [CIF]
data_Hf2Mg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.679
_cell_length_b   5.679
_cell_length_c   4.969
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   160.221
_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  0.330  0.330  0.000  1.0
  Hf  Hf1  1  0.670  0.670  0.000  1.0
  Hf  Hf2  1  0.170  0.830  0.500  1.0
  Hf  Hf3  1  0.830  0.170  0.500  1.0
  Mg  Mg4  1  0.000  0.000  0.000  1.0
  Mg  Mg5  1  0.500  0.500  0.500  1.0
[/CIF]
.