The material structure described by Mg6HfC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to two equivalent Mg(3), two equivalent Mg(4), and one C(1) atom. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to one Mg(3), one Mg(4), and two equivalent C(1) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Hf(1) atoms. Hf(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Mg(4) and two equivalent C(1) atoms. C(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), four equivalent Mg(2), and two equivalent Hf(1) atoms. is represented by the CIF file [CIF]
data_HfMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.728
_cell_length_b   5.431
_cell_length_c   6.617
_cell_angle_alpha   114.227
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.938
_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
  C  C0  1  0.500  0.122  0.244  1.0
  Hf  Hf1  1  0.500  0.688  0.375  1.0
  Mg  Mg2  1  0.500  0.700  0.895  1.0
  Mg  Mg3  1  0.500  0.195  0.895  1.0
  Mg  Mg4  1  1.000  0.830  0.157  1.0
  Mg  Mg5  1  1.000  0.327  0.157  1.0
  Mg  Mg6  1  0.000  0.295  0.591  1.0
  Mg  Mg7  1  0.000  0.843  0.686  1.0
[/CIF]
.
The material structure described by Mg6HfC crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a single-bond geometry to two equivalent Mg(3), two equivalent Mg(4), and one C(1) atom. In the second Mg site, Mg(2) is bonded in a 2-coordinate geometry to one Mg(3), one Mg(4), and two equivalent C(1) atoms. In the third Mg site, Mg(3) is bonded in a 8-coordinate geometry to two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Mg(2), two equivalent Mg(3), four equivalent Mg(1), and two equivalent Hf(1) atoms. Hf(1) is bonded in a distorted bent 150 degrees geometry to two equivalent Mg(4) and two equivalent C(1) atoms. C(1) is bonded in a 8-coordinate geometry to two equivalent Mg(1), four equivalent Mg(2), and two equivalent Hf(1) atoms. is represented by the CIF file [CIF]
data_HfMg6C
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.728
_cell_length_b   5.431
_cell_length_c   6.617
_cell_angle_alpha   114.227
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   154.938
_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
  C  C0  1  0.500  0.122  0.244  1.0
  Hf  Hf1  1  0.500  0.688  0.375  1.0
  Mg  Mg2  1  0.500  0.700  0.895  1.0
  Mg  Mg3  1  0.500  0.195  0.895  1.0
  Mg  Mg4  1  1.000  0.830  0.157  1.0
  Mg  Mg5  1  1.000  0.327  0.157  1.0
  Mg  Mg6  1  0.000  0.295  0.591  1.0
  Mg  Mg7  1  0.000  0.843  0.686  1.0
[/CIF]
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