The material structure described by MgFe6Ge6 crystallizes in the hexagonal P6/mmm space group. Mg(1) is bonded to twelve equivalent Fe(1), two equivalent Ge(1), and six equivalent Ge(2) atoms to form distorted face-sharing MgFe12Ge8 hexagonal bipyramids. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), four equivalent Fe(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Mg(1), six equivalent Fe(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Fe(1) atoms. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Mg(FeGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.047
_cell_length_b   5.047
_cell_length_c   8.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   180.541
_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
  Mg  Mg0  1  1.000  0.000  1.000  1.0
  Fe  Fe1  1  0.500  0.000  0.249  1.0
  Fe  Fe2  1  0.500  0.500  0.249  1.0
  Fe  Fe3  1  1.000  0.500  0.249  1.0
  Fe  Fe4  1  0.500  0.000  0.751  1.0
  Fe  Fe5  1  0.500  0.500  0.751  1.0
  Fe  Fe6  1  1.000  0.500  0.751  1.0
  Ge  Ge7  1  1.000  0.000  0.343  1.0
  Ge  Ge8  1  1.000  1.000  0.657  1.0
  Ge  Ge9  1  0.333  0.667  1.000  1.0
  Ge  Ge10  1  0.667  0.333  1.000  1.0
  Ge  Ge11  1  0.333  0.667  0.500  1.0
  Ge  Ge12  1  0.667  0.333  0.500  1.0
[/CIF]
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The material structure described by MgFe6Ge6 crystallizes in the hexagonal P6/mmm space group. Mg(1) is bonded to twelve equivalent Fe(1), two equivalent Ge(1), and six equivalent Ge(2) atoms to form distorted face-sharing MgFe12Ge8 hexagonal bipyramids. Fe(1) is bonded in a 12-coordinate geometry to two equivalent Mg(1), four equivalent Fe(1), two equivalent Ge(1), two equivalent Ge(2), and two equivalent Ge(3) atoms. There are three inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a 8-coordinate geometry to one Mg(1), six equivalent Fe(1), and one Ge(1) atom. In the second Ge site, Ge(2) is bonded in a 9-coordinate geometry to three equivalent Mg(1) and six equivalent Fe(1) atoms. In the third Ge site, Ge(3) is bonded in a 6-coordinate geometry to six equivalent Fe(1) atoms. is represented by the CIF file [CIF]
data_Mg(FeGe)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.047
_cell_length_b   5.047
_cell_length_c   8.183
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.998
_symmetry_Int_Tables_number   1
_cell_volume   180.541
_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
  Mg  Mg0  1  1.000  0.000  1.000  1.0
  Fe  Fe1  1  0.500  0.000  0.249  1.0
  Fe  Fe2  1  0.500  0.500  0.249  1.0
  Fe  Fe3  1  1.000  0.500  0.249  1.0
  Fe  Fe4  1  0.500  0.000  0.751  1.0
  Fe  Fe5  1  0.500  0.500  0.751  1.0
  Fe  Fe6  1  1.000  0.500  0.751  1.0
  Ge  Ge7  1  1.000  0.000  0.343  1.0
  Ge  Ge8  1  1.000  1.000  0.657  1.0
  Ge  Ge9  1  0.333  0.667  1.000  1.0
  Ge  Ge10  1  0.667  0.333  1.000  1.0
  Ge  Ge11  1  0.333  0.667  0.500  1.0
  Ge  Ge12  1  0.667  0.333  0.500  1.0
[/CIF]
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