The material structure described by Mn3Fe3Ge2 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four Mn(1,1); four Fe(1,1); two equivalent Ge(1); and two equivalent Ge(2) atoms to form distorted MnMn4Fe4Ge4 cuboctahedra that share corners with four equivalent Ge(2)Mn6Fe6 cuboctahedra; corners with fourteen Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with two equivalent Ge(2)Mn6Fe6 cuboctahedra; edges with four Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with four equivalent Ge(1)Mn6Fe6 cuboctahedra; edges with eight Fe(1,1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with ten Fe(1,1)Mn4Fe4Ge4 cuboctahedra. In the second Mn site, Mn(1) is bonded to four equivalent Mn(1), four equivalent Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form distorted MnMn4Fe4Ge4 cuboctahedra that share corners with four equivalent Ge(2)Mn6Fe6 cuboctahedra; corners with fourteen Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with two equivalent Ge(2)Mn6Fe6 cuboctahedra; edges with four equivalent Mn(1)Mn4Fe4Ge4 cuboctahedra; edges with four equivalent Ge(1)Mn6Fe6 cuboctahedra; edges with eight equivalent Fe(1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with ten Fe(1,1)Mn4Fe4Ge4 cuboctahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four Mn(1,1); four Fe(1,1); two equivalent Ge(1); and two equivalent Ge(2) atoms to form distorted FeMn4Fe4Ge4 cuboctahedra that share corners with four equivalent Ge(1)Mn6Fe6 cuboctahedra; corners with fourteen Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with two equivalent Ge(1)Mn6Fe6 cuboctahedra; edges with four Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with four equivalent Ge(2)Mn6Fe6 cuboctahedra; edges with eight Mn(1,1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with ten Mn(1,1)Mn4Fe4Ge4 cuboctahedra. In the second Fe site, Fe(1) is bonded to four equivalent Mn(1), four equivalent Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form distorted FeMn4Fe4Ge4 cuboctahedra that share corners with four equivalent Ge(1)Mn6Fe6 cuboctahedra; corners with fourteen Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with two equivalent Ge(1)Mn6Fe6 cuboctahedra; edges with four equivalent Fe(1)Mn4Fe4Ge4 cuboctahedra; edges with four equivalent Ge(2)Mn6Fe6 cuboctahedra; edges with eight equivalent Mn(1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with ten Mn(1,1)Mn4Fe4Ge4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to six Mn(1,1) and six Fe(1,1) atoms to form GeMn6Fe6 cuboctahedra that share corners with six equivalent Ge(1)Mn6Fe6 cuboctahedra; corners with twelve Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with twelve Mn(1,1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; faces with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with six equivalent Ge(2)Mn6Fe6 cuboctahedra. In the second Ge site, Ge(2) is bonded to six Mn(1,1) and six Fe(1,1) atoms to form GeMn6Fe6 cuboctahedra that share corners with six equivalent Ge(2)Mn6Fe6 cuboctahedra; corners with twelve Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with twelve Fe(1,1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; faces with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with six equivalent Ge(1)Mn6Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Fe3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   5.177
_cell_length_c   4.138
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.056
_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  0.987  0.493  0.000  1.0
  Mn  Mn1  1  0.507  0.493  0.000  1.0
  Mn  Mn2  1  0.507  0.013  0.000  1.0
  Fe  Fe3  1  0.346  0.173  0.500  1.0
  Fe  Fe4  1  0.827  0.173  0.500  1.0
  Fe  Fe5  1  0.827  0.654  0.500  1.0
  Ge  Ge6  1  0.333  0.667  0.500  1.0
  Ge  Ge7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material structure described by Mn3Fe3Ge2 crystallizes in the hexagonal P-6m2 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four Mn(1,1); four Fe(1,1); two equivalent Ge(1); and two equivalent Ge(2) atoms to form distorted MnMn4Fe4Ge4 cuboctahedra that share corners with four equivalent Ge(2)Mn6Fe6 cuboctahedra; corners with fourteen Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with two equivalent Ge(2)Mn6Fe6 cuboctahedra; edges with four Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with four equivalent Ge(1)Mn6Fe6 cuboctahedra; edges with eight Fe(1,1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with ten Fe(1,1)Mn4Fe4Ge4 cuboctahedra. In the second Mn site, Mn(1) is bonded to four equivalent Mn(1), four equivalent Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form distorted MnMn4Fe4Ge4 cuboctahedra that share corners with four equivalent Ge(2)Mn6Fe6 cuboctahedra; corners with fourteen Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with two equivalent Ge(2)Mn6Fe6 cuboctahedra; edges with four equivalent Mn(1)Mn4Fe4Ge4 cuboctahedra; edges with four equivalent Ge(1)Mn6Fe6 cuboctahedra; edges with eight equivalent Fe(1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with ten Fe(1,1)Mn4Fe4Ge4 cuboctahedra. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to four Mn(1,1); four Fe(1,1); two equivalent Ge(1); and two equivalent Ge(2) atoms to form distorted FeMn4Fe4Ge4 cuboctahedra that share corners with four equivalent Ge(1)Mn6Fe6 cuboctahedra; corners with fourteen Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with two equivalent Ge(1)Mn6Fe6 cuboctahedra; edges with four Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with four equivalent Ge(2)Mn6Fe6 cuboctahedra; edges with eight Mn(1,1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with ten Mn(1,1)Mn4Fe4Ge4 cuboctahedra. In the second Fe site, Fe(1) is bonded to four equivalent Mn(1), four equivalent Fe(1), two equivalent Ge(1), and two equivalent Ge(2) atoms to form distorted FeMn4Fe4Ge4 cuboctahedra that share corners with four equivalent Ge(1)Mn6Fe6 cuboctahedra; corners with fourteen Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with two equivalent Ge(1)Mn6Fe6 cuboctahedra; edges with four equivalent Fe(1)Mn4Fe4Ge4 cuboctahedra; edges with four equivalent Ge(2)Mn6Fe6 cuboctahedra; edges with eight equivalent Mn(1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with ten Mn(1,1)Mn4Fe4Ge4 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to six Mn(1,1) and six Fe(1,1) atoms to form GeMn6Fe6 cuboctahedra that share corners with six equivalent Ge(1)Mn6Fe6 cuboctahedra; corners with twelve Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; edges with twelve Mn(1,1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(1)Mn6Fe6 cuboctahedra; faces with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; faces with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with six equivalent Ge(2)Mn6Fe6 cuboctahedra. In the second Ge site, Ge(2) is bonded to six Mn(1,1) and six Fe(1,1) atoms to form GeMn6Fe6 cuboctahedra that share corners with six equivalent Ge(2)Mn6Fe6 cuboctahedra; corners with twelve Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; edges with twelve Fe(1,1)Mn4Fe4Ge4 cuboctahedra; faces with two equivalent Ge(2)Mn6Fe6 cuboctahedra; faces with six Mn(1,1)Mn4Fe4Ge4 cuboctahedra; faces with six Fe(1,1)Mn4Fe4Ge4 cuboctahedra; and faces with six equivalent Ge(1)Mn6Fe6 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Fe3Ge2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.177
_cell_length_b   5.177
_cell_length_c   4.138
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   96.056
_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  0.987  0.493  0.000  1.0
  Mn  Mn1  1  0.507  0.493  0.000  1.0
  Mn  Mn2  1  0.507  0.013  0.000  1.0
  Fe  Fe3  1  0.346  0.173  0.500  1.0
  Fe  Fe4  1  0.827  0.173  0.500  1.0
  Fe  Fe5  1  0.827  0.654  0.500  1.0
  Ge  Ge6  1  0.333  0.667  0.500  1.0
  Ge  Ge7  1  0.000  0.000  0.000  1.0
[/CIF]
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