The structure described by CsMg6Hf is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Hf(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCs2Mg10 cuboctahedra that share corners with six equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(2)Cs2Mg10 cuboctahedra, and faces with six equivalent Hf(1)Cs2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Cs(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Hf(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 14-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Hf(1) atoms. Hf(1) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted HfCs2Mg10 cuboctahedra that share corners with six equivalent Hf(1)Cs2Mg10 cuboctahedra, faces with two equivalent Hf(1)Cs2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Cs2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_CsHfMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.347
_cell_length_b   6.671
_cell_length_c   6.671
_cell_angle_alpha   114.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.596
_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
  Cs  Cs0  1  0.000  0.129  0.871  1.0
  Hf  Hf1  1  0.500  0.351  0.649  1.0
  Mg  Mg2  1  0.000  0.611  0.804  1.0
  Mg  Mg3  1  0.000  0.196  0.389  1.0
  Mg  Mg4  1  0.000  0.677  0.323  1.0
  Mg  Mg5  1  0.500  0.801  0.620  1.0
  Mg  Mg6  1  0.500  0.380  0.199  1.0
  Mg  Mg7  1  0.500  0.854  0.146  1.0
[/CIF]
.
The structure described by CsMg6Hf is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 12-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Hf(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 11-coordinate geometry to two equivalent Cs(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), two equivalent Mg(4), and two equivalent Hf(1) atoms. In the second Mg site, Mg(2) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted MgCs2Mg10 cuboctahedra that share corners with six equivalent Mg(2)Cs2Mg10 cuboctahedra, faces with two equivalent Mg(2)Cs2Mg10 cuboctahedra, and faces with six equivalent Hf(1)Cs2Mg10 cuboctahedra. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Cs(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), and two equivalent Hf(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 14-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), four equivalent Mg(3), and two equivalent Hf(1) atoms. Hf(1) is bonded to two equivalent Cs(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted HfCs2Mg10 cuboctahedra that share corners with six equivalent Hf(1)Cs2Mg10 cuboctahedra, faces with two equivalent Hf(1)Cs2Mg10 cuboctahedra, and faces with six equivalent Mg(2)Cs2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_CsHfMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.347
_cell_length_b   6.671
_cell_length_c   6.671
_cell_angle_alpha   114.441
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.596
_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
  Cs  Cs0  1  0.000  0.129  0.871  1.0
  Hf  Hf1  1  0.500  0.351  0.649  1.0
  Mg  Mg2  1  0.000  0.611  0.804  1.0
  Mg  Mg3  1  0.000  0.196  0.389  1.0
  Mg  Mg4  1  0.000  0.677  0.323  1.0
  Mg  Mg5  1  0.500  0.801  0.620  1.0
  Mg  Mg6  1  0.500  0.380  0.199  1.0
  Mg  Mg7  1  0.500  0.854  0.146  1.0
[/CIF]
.