The compound described by Mn6GaGe is beta Cu3Ti-derived structured and crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(1); four Mn(2,2); two equivalent Ga(1); and two equivalent Ge(1) atoms to form distorted MnMn8Ga2Ge2 cuboctahedra that share corners with four equivalent Ge(1)Mn12 cuboctahedra; corners with fourteen equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; edges with two equivalent Ge(1)Mn12 cuboctahedra; edges with four equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; edges with four equivalent Ga(1)Mn12 cuboctahedra; edges with eight Mn(2,2)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ga(1)Mn12 cuboctahedra; faces with two equivalent Ge(1)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; and faces with ten Mn(2,2)Mn8Ga2Ge2 cuboctahedra. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1); four Mn(2,2); two equivalent Ga(1); and two equivalent Ge(1) atoms to form distorted MnMn8Ga2Ge2 cuboctahedra that share corners with four equivalent Ga(1)Mn12 cuboctahedra; corners with fourteen Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with two equivalent Ga(1)Mn12 cuboctahedra; edges with four Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with four equivalent Ge(1)Mn12 cuboctahedra; edges with eight equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ga(1)Mn12 cuboctahedra; faces with two equivalent Ge(1)Mn12 cuboctahedra; faces with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; and faces with ten equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra. In the third Mn site, Mn(2) is bonded to four equivalent Mn(1), four equivalent Mn(2), two equivalent Ga(1), and two equivalent Ge(1) atoms to form distorted MnMn8Ga2Ge2 cuboctahedra that share corners with four equivalent Ga(1)Mn12 cuboctahedra; corners with fourteen Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with two equivalent Ga(1)Mn12 cuboctahedra; edges with four equivalent Mn(2)Mn8Ga2Ge2 cuboctahedra; edges with four equivalent Ge(1)Mn12 cuboctahedra; edges with eight equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ga(1)Mn12 cuboctahedra; faces with two equivalent Ge(1)Mn12 cuboctahedra; faces with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; and faces with ten equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra. Ga(1) is bonded to six equivalent Mn(1) and six Mn(2,2) atoms to form GaMn12 cuboctahedra that share corners with six equivalent Ga(1)Mn12 cuboctahedra; corners with twelve Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with twelve equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ga(1)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; and faces with six equivalent Ge(1)Mn12 cuboctahedra. Ge(1) is bonded to six equivalent Mn(1) and six Mn(2,2) atoms to form GeMn12 cuboctahedra that share corners with six equivalent Ge(1)Mn12 cuboctahedra; corners with twelve equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; edges with six equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; edges with twelve Mn(2,2)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ge(1)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; and faces with six equivalent Ga(1)Mn12 cuboctahedra. is represented by the CIF card [CIF]
data_Mn6GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.169
_cell_length_c   4.174
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.595
_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
  Mn  Mn0  1  0.676  0.838  0.000  1.0
  Mn  Mn1  1  0.162  0.838  0.000  1.0
  Mn  Mn2  1  0.162  0.324  0.000  1.0
  Mn  Mn3  1  0.319  0.159  0.500  1.0
  Mn  Mn4  1  0.841  0.159  0.500  1.0
  Mn  Mn5  1  0.841  0.681  0.500  1.0
  Ga  Ga6  1  0.333  0.667  0.500  1.0
  Ge  Ge7  1  0.667  0.333  0.000  1.0
[/CIF]
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The compound described by Mn6GaGe is beta Cu3Ti-derived structured and crystallizes in the hexagonal P-6m2 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(1); four Mn(2,2); two equivalent Ga(1); and two equivalent Ge(1) atoms to form distorted MnMn8Ga2Ge2 cuboctahedra that share corners with four equivalent Ge(1)Mn12 cuboctahedra; corners with fourteen equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; edges with two equivalent Ge(1)Mn12 cuboctahedra; edges with four equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; edges with four equivalent Ga(1)Mn12 cuboctahedra; edges with eight Mn(2,2)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ga(1)Mn12 cuboctahedra; faces with two equivalent Ge(1)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; and faces with ten Mn(2,2)Mn8Ga2Ge2 cuboctahedra. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1); four Mn(2,2); two equivalent Ga(1); and two equivalent Ge(1) atoms to form distorted MnMn8Ga2Ge2 cuboctahedra that share corners with four equivalent Ga(1)Mn12 cuboctahedra; corners with fourteen Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with two equivalent Ga(1)Mn12 cuboctahedra; edges with four Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with four equivalent Ge(1)Mn12 cuboctahedra; edges with eight equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ga(1)Mn12 cuboctahedra; faces with two equivalent Ge(1)Mn12 cuboctahedra; faces with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; and faces with ten equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra. In the third Mn site, Mn(2) is bonded to four equivalent Mn(1), four equivalent Mn(2), two equivalent Ga(1), and two equivalent Ge(1) atoms to form distorted MnMn8Ga2Ge2 cuboctahedra that share corners with four equivalent Ga(1)Mn12 cuboctahedra; corners with fourteen Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with two equivalent Ga(1)Mn12 cuboctahedra; edges with four equivalent Mn(2)Mn8Ga2Ge2 cuboctahedra; edges with four equivalent Ge(1)Mn12 cuboctahedra; edges with eight equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ga(1)Mn12 cuboctahedra; faces with two equivalent Ge(1)Mn12 cuboctahedra; faces with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; and faces with ten equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra. Ga(1) is bonded to six equivalent Mn(1) and six Mn(2,2) atoms to form GaMn12 cuboctahedra that share corners with six equivalent Ga(1)Mn12 cuboctahedra; corners with twelve Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; edges with twelve equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ga(1)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; and faces with six equivalent Ge(1)Mn12 cuboctahedra. Ge(1) is bonded to six equivalent Mn(1) and six Mn(2,2) atoms to form GeMn12 cuboctahedra that share corners with six equivalent Ge(1)Mn12 cuboctahedra; corners with twelve equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; edges with six equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; edges with twelve Mn(2,2)Mn8Ga2Ge2 cuboctahedra; faces with two equivalent Ge(1)Mn12 cuboctahedra; faces with six equivalent Mn(1)Mn8Ga2Ge2 cuboctahedra; faces with six Mn(2,2)Mn8Ga2Ge2 cuboctahedra; and faces with six equivalent Ga(1)Mn12 cuboctahedra. is represented by the CIF card [CIF]
data_Mn6GaGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.169
_cell_length_b   5.169
_cell_length_c   4.174
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.595
_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
  Mn  Mn0  1  0.676  0.838  0.000  1.0
  Mn  Mn1  1  0.162  0.838  0.000  1.0
  Mn  Mn2  1  0.162  0.324  0.000  1.0
  Mn  Mn3  1  0.319  0.159  0.500  1.0
  Mn  Mn4  1  0.841  0.159  0.500  1.0
  Mn  Mn5  1  0.841  0.681  0.500  1.0
  Ga  Ga6  1  0.333  0.667  0.500  1.0
  Ge  Ge7  1  0.667  0.333  0.000  1.0
[/CIF]
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