The crystal structure described by Mn3Ge is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to eight Mn(1,1) and four equivalent Ge(1) atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with four equivalent Ge(1)Mn12 cuboctahedra; corners with fourteen Mn(1,1)Mn8Ge4 cuboctahedra; edges with six equivalent Ge(1)Mn12 cuboctahedra; edges with twelve Mn(1,1)Mn8Ge4 cuboctahedra; faces with four equivalent Ge(1)Mn12 cuboctahedra; and faces with sixteen Mn(1,1)Mn8Ge4 cuboctahedra. In the second Mn site, Mn(1) is bonded to eight Mn(1,1) and four equivalent Ge(1) atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with four equivalent Ge(1)Mn12 cuboctahedra; corners with fourteen Mn(1,1)Mn8Ge4 cuboctahedra; edges with six equivalent Ge(1)Mn12 cuboctahedra; edges with twelve Mn(1,1)Mn8Ge4 cuboctahedra; faces with four equivalent Ge(1)Mn12 cuboctahedra; and faces with sixteen Mn(1,1)Mn8Ge4 cuboctahedra. Ge(1) is bonded to twelve Mn(1,1) atoms to form GeMn12 cuboctahedra that share corners with six equivalent Ge(1)Mn12 cuboctahedra; corners with twelve Mn(1,1)Mn8Ge4 cuboctahedra; edges with eighteen Mn(1,1)Mn8Ge4 cuboctahedra; faces with eight equivalent Ge(1)Mn12 cuboctahedra; and faces with twelve Mn(1,1)Mn8Ge4 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.178
_cell_length_c   4.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   97.013
_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
  Mn  Mn0  1  0.839  0.161  0.250  1.0
  Mn  Mn1  1  0.839  0.677  0.250  1.0
  Mn  Mn2  1  0.323  0.161  0.250  1.0
  Mn  Mn3  1  0.161  0.839  0.750  1.0
  Mn  Mn4  1  0.161  0.323  0.750  1.0
  Mn  Mn5  1  0.677  0.839  0.750  1.0
  Ge  Ge6  1  0.333  0.667  0.250  1.0
  Ge  Ge7  1  0.667  0.333  0.750  1.0
[/CIF]
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The crystal structure described by Mn3Ge is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to eight Mn(1,1) and four equivalent Ge(1) atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with four equivalent Ge(1)Mn12 cuboctahedra; corners with fourteen Mn(1,1)Mn8Ge4 cuboctahedra; edges with six equivalent Ge(1)Mn12 cuboctahedra; edges with twelve Mn(1,1)Mn8Ge4 cuboctahedra; faces with four equivalent Ge(1)Mn12 cuboctahedra; and faces with sixteen Mn(1,1)Mn8Ge4 cuboctahedra. In the second Mn site, Mn(1) is bonded to eight Mn(1,1) and four equivalent Ge(1) atoms to form distorted MnMn8Ge4 cuboctahedra that share corners with four equivalent Ge(1)Mn12 cuboctahedra; corners with fourteen Mn(1,1)Mn8Ge4 cuboctahedra; edges with six equivalent Ge(1)Mn12 cuboctahedra; edges with twelve Mn(1,1)Mn8Ge4 cuboctahedra; faces with four equivalent Ge(1)Mn12 cuboctahedra; and faces with sixteen Mn(1,1)Mn8Ge4 cuboctahedra. Ge(1) is bonded to twelve Mn(1,1) atoms to form GeMn12 cuboctahedra that share corners with six equivalent Ge(1)Mn12 cuboctahedra; corners with twelve Mn(1,1)Mn8Ge4 cuboctahedra; edges with eighteen Mn(1,1)Mn8Ge4 cuboctahedra; faces with eight equivalent Ge(1)Mn12 cuboctahedra; and faces with twelve Mn(1,1)Mn8Ge4 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.178
_cell_length_b   5.178
_cell_length_c   4.178
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   97.013
_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
  Mn  Mn0  1  0.839  0.161  0.250  1.0
  Mn  Mn1  1  0.839  0.677  0.250  1.0
  Mn  Mn2  1  0.323  0.161  0.250  1.0
  Mn  Mn3  1  0.161  0.839  0.750  1.0
  Mn  Mn4  1  0.161  0.323  0.750  1.0
  Mn  Mn5  1  0.677  0.839  0.750  1.0
  Ge  Ge6  1  0.333  0.667  0.250  1.0
  Ge  Ge7  1  0.667  0.333  0.750  1.0
[/CIF]
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