The material described by Mn5GeSi2 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1), one Si(1), one Si(3), and two equivalent Si(2) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to two equivalent Ge(1), one Si(1), and two equivalent Si(2) atoms. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to two equivalent Ge(1), one Si(1), and two equivalent Si(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to two equivalent Ge(1), one Si(3), and two equivalent Si(2) atoms. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. Ge(1) is bonded in a 9-coordinate geometry to one Mn(3), two equivalent Mn(2), two equivalent Mn(4), and four equivalent Mn(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Mn(3), two equivalent Mn(2), two equivalent Mn(5), and four equivalent Mn(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mn(5), two equivalent Mn(2), two equivalent Mn(4), and four equivalent Mn(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Mn(5), two equivalent Mn(3), two equivalent Mn(4), and four equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5Si2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.971
_cell_length_b   6.971
_cell_length_c   4.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.979
_symmetry_Int_Tables_number   1
_cell_volume   204.307
_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  0.663  0.334  0.246  1.0
  Mn  Mn1  1  0.334  0.663  0.246  1.0
  Mn  Mn2  1  0.334  0.663  0.754  1.0
  Mn  Mn3  1  0.663  0.334  0.754  1.0
  Mn  Mn4  1  0.247  0.008  0.500  1.0
  Mn  Mn5  1  0.008  0.247  0.500  1.0
  Mn  Mn6  1  0.749  0.749  0.500  1.0
  Mn  Mn7  1  0.755  0.999  0.000  1.0
  Mn  Mn8  1  0.999  0.755  0.000  1.0
  Mn  Mn9  1  0.249  0.249  0.000  1.0
  Si  Si10  1  0.399  0.399  0.500  1.0
  Si  Si11  1  0.394  0.999  0.000  1.0
  Si  Si12  1  0.999  0.394  0.000  1.0
  Si  Si13  1  0.604  0.604  0.000  1.0
  Ge  Ge14  1  0.605  0.001  0.500  1.0
  Ge  Ge15  1  0.001  0.605  0.500  1.0
[/CIF]
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The material described by Mn5GeSi2 crystallizes in the orthorhombic Amm2 space group. There are five inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 6-coordinate geometry to two equivalent Ge(1), one Si(1), one Si(3), and two equivalent Si(2) atoms. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to two equivalent Ge(1), one Si(1), and two equivalent Si(2) atoms. In the third Mn site, Mn(3) is bonded in a 5-coordinate geometry to two equivalent Ge(1), one Si(1), and two equivalent Si(3) atoms. In the fourth Mn site, Mn(4) is bonded in a 5-coordinate geometry to two equivalent Ge(1), one Si(3), and two equivalent Si(2) atoms. In the fifth Mn site, Mn(5) is bonded in a 5-coordinate geometry to one Si(3), two equivalent Si(1), and two equivalent Si(2) atoms. Ge(1) is bonded in a 9-coordinate geometry to one Mn(3), two equivalent Mn(2), two equivalent Mn(4), and four equivalent Mn(1) atoms. There are three inequivalent Si sites. In the first Si site, Si(1) is bonded in a 9-coordinate geometry to one Mn(3), two equivalent Mn(2), two equivalent Mn(5), and four equivalent Mn(1) atoms. In the second Si site, Si(2) is bonded in a 9-coordinate geometry to one Mn(5), two equivalent Mn(2), two equivalent Mn(4), and four equivalent Mn(1) atoms. In the third Si site, Si(3) is bonded in a 9-coordinate geometry to one Mn(5), two equivalent Mn(3), two equivalent Mn(4), and four equivalent Mn(1) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn5Si2Ge
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.971
_cell_length_b   6.971
_cell_length_c   4.854
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.979
_symmetry_Int_Tables_number   1
_cell_volume   204.307
_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  0.663  0.334  0.246  1.0
  Mn  Mn1  1  0.334  0.663  0.246  1.0
  Mn  Mn2  1  0.334  0.663  0.754  1.0
  Mn  Mn3  1  0.663  0.334  0.754  1.0
  Mn  Mn4  1  0.247  0.008  0.500  1.0
  Mn  Mn5  1  0.008  0.247  0.500  1.0
  Mn  Mn6  1  0.749  0.749  0.500  1.0
  Mn  Mn7  1  0.755  0.999  0.000  1.0
  Mn  Mn8  1  0.999  0.755  0.000  1.0
  Mn  Mn9  1  0.249  0.249  0.000  1.0
  Si  Si10  1  0.399  0.399  0.500  1.0
  Si  Si11  1  0.394  0.999  0.000  1.0
  Si  Si12  1  0.999  0.394  0.000  1.0
  Si  Si13  1  0.604  0.604  0.000  1.0
  Ge  Ge14  1  0.605  0.001  0.500  1.0
  Ge  Ge15  1  0.001  0.605  0.500  1.0
[/CIF]
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