The crystal structure described by Mn4Fe8GeSi3 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Fe(4), three equivalent Fe(1), four equivalent Fe(2), three equivalent Si(1), and three equivalent Si(2) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(4), four equivalent Fe(3), three equivalent Ge(1), and three equivalent Si(1) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Si(2), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to four equivalent Mn(1), one Si(1), and three equivalent Si(2) atoms. In the third Fe site, Fe(3) is bonded in a body-centered cubic geometry to four equivalent Mn(2), three equivalent Ge(1), and one Si(1) atom. In the fourth Fe site, Fe(4) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), one Ge(1), and three equivalent Si(1) atoms. In the fifth Fe site, Fe(2) is bonded in a body-centered cubic geometry to four equivalent Mn(1), one Si(1), and three equivalent Si(2) atoms. In the sixth Fe site, Fe(3) is bonded in a body-centered cubic geometry to four equivalent Mn(2), three equivalent Ge(1), and one Si(1) atom. Ge(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mn(2), two equivalent Fe(4), and six equivalent Fe(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(1), three equivalent Mn(2), one Fe(2), one Fe(3), three equivalent Fe(1), and three equivalent Fe(4) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to six equivalent Mn(1), two equivalent Fe(1), and six equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Mn4Fe8Si3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.183
_cell_length_b   13.183
_cell_length_c   13.183
_cell_angle_alpha   17.326
_cell_angle_beta   17.326
_cell_angle_gamma   17.326
_symmetry_Int_Tables_number   1
_cell_volume   177.321
_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  0.625  0.625  0.625  1.0
  Mn  Mn1  1  0.375  0.375  0.375  1.0
  Mn  Mn2  1  0.875  0.875  0.875  1.0
  Mn  Mn3  1  0.125  0.125  0.125  1.0
  Fe  Fe4  1  0.938  0.938  0.938  1.0
  Fe  Fe5  1  0.687  0.687  0.687  1.0
  Fe  Fe6  1  0.189  0.189  0.189  1.0
  Fe  Fe7  1  0.436  0.436  0.436  1.0
  Fe  Fe8  1  0.564  0.564  0.564  1.0
  Fe  Fe9  1  0.313  0.313  0.313  1.0
  Fe  Fe10  1  0.811  0.811  0.811  1.0
  Fe  Fe11  1  0.062  0.062  0.062  1.0
  Si  Si12  1  0.750  0.750  0.750  1.0
  Si  Si13  1  0.000  0.000  0.000  1.0
  Si  Si14  1  0.250  0.250  0.250  1.0
  Ge  Ge15  1  0.500  0.500  0.500  1.0
[/CIF]
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The crystal structure described by Mn4Fe8GeSi3 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Fe(4), three equivalent Fe(1), four equivalent Fe(2), three equivalent Si(1), and three equivalent Si(2) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Fe(1), three equivalent Fe(4), four equivalent Fe(3), three equivalent Ge(1), and three equivalent Si(1) atoms. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Si(2), and three equivalent Si(1) atoms. In the second Fe site, Fe(2) is bonded in a body-centered cubic geometry to four equivalent Mn(1), one Si(1), and three equivalent Si(2) atoms. In the third Fe site, Fe(3) is bonded in a body-centered cubic geometry to four equivalent Mn(2), three equivalent Ge(1), and one Si(1) atom. In the fourth Fe site, Fe(4) is bonded in a body-centered cubic geometry to one Mn(1), three equivalent Mn(2), one Ge(1), and three equivalent Si(1) atoms. In the fifth Fe site, Fe(2) is bonded in a body-centered cubic geometry to four equivalent Mn(1), one Si(1), and three equivalent Si(2) atoms. In the sixth Fe site, Fe(3) is bonded in a body-centered cubic geometry to four equivalent Mn(2), three equivalent Ge(1), and one Si(1) atom. Ge(1) is bonded in a distorted body-centered cubic geometry to six equivalent Mn(2), two equivalent Fe(4), and six equivalent Fe(3) atoms. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(1), three equivalent Mn(2), one Fe(2), one Fe(3), three equivalent Fe(1), and three equivalent Fe(4) atoms. In the second Si site, Si(2) is bonded in a distorted body-centered cubic geometry to six equivalent Mn(1), two equivalent Fe(1), and six equivalent Fe(2) atoms. is represented by the CIF file [CIF]
data_Mn4Fe8Si3Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.183
_cell_length_b   13.183
_cell_length_c   13.183
_cell_angle_alpha   17.326
_cell_angle_beta   17.326
_cell_angle_gamma   17.326
_symmetry_Int_Tables_number   1
_cell_volume   177.321
_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  0.625  0.625  0.625  1.0
  Mn  Mn1  1  0.375  0.375  0.375  1.0
  Mn  Mn2  1  0.875  0.875  0.875  1.0
  Mn  Mn3  1  0.125  0.125  0.125  1.0
  Fe  Fe4  1  0.938  0.938  0.938  1.0
  Fe  Fe5  1  0.687  0.687  0.687  1.0
  Fe  Fe6  1  0.189  0.189  0.189  1.0
  Fe  Fe7  1  0.436  0.436  0.436  1.0
  Fe  Fe8  1  0.564  0.564  0.564  1.0
  Fe  Fe9  1  0.313  0.313  0.313  1.0
  Fe  Fe10  1  0.811  0.811  0.811  1.0
  Fe  Fe11  1  0.062  0.062  0.062  1.0
  Si  Si12  1  0.750  0.750  0.750  1.0
  Si  Si13  1  0.000  0.000  0.000  1.0
  Si  Si14  1  0.250  0.250  0.250  1.0
  Ge  Ge15  1  0.500  0.500  0.500  1.0
[/CIF]
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