The material structure described by Mn5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Mn(2) and six equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Mn(2) and five equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.957
_cell_length_b   6.961
_cell_length_c   4.821
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.983
_symmetry_Int_Tables_number   1
_cell_volume   202.237
_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  0.000  0.757  0.750  1.0
  Mn  Mn1  1  1.000  0.243  0.250  1.0
  Mn  Mn2  1  0.757  0.757  0.250  1.0
  Mn  Mn3  1  0.758  1.000  0.750  1.0
  Mn  Mn4  1  0.243  0.243  0.750  1.0
  Mn  Mn5  1  0.242  0.000  0.250  1.0
  Mn  Mn6  1  0.333  0.667  0.500  1.0
  Mn  Mn7  1  0.667  0.333  1.000  1.0
  Mn  Mn8  1  0.667  0.333  0.500  1.0
  Mn  Mn9  1  0.333  0.667  0.000  1.0
  Si  Si10  1  0.400  1.000  0.750  1.0
  Si  Si11  1  0.400  0.400  0.250  1.0
  Si  Si12  1  1.000  0.600  0.250  1.0
  Si  Si13  1  0.000  0.400  0.750  1.0
  Si  Si14  1  0.600  0.600  0.750  1.0
  Si  Si15  1  0.600  0.000  0.250  1.0
[/CIF]
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The material structure described by Mn5Si3 crystallizes in the hexagonal P6_3/mcm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to five equivalent Si(1) atoms. In the second Mn site, Mn(2) is bonded in a 8-coordinate geometry to two equivalent Mn(2) and six equivalent Si(1) atoms. Si(1) is bonded in a 9-coordinate geometry to four equivalent Mn(2) and five equivalent Mn(1) atoms. is represented by the CIF card [CIF]
data_Mn5Si3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.957
_cell_length_b   6.961
_cell_length_c   4.821
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   119.983
_symmetry_Int_Tables_number   1
_cell_volume   202.237
_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  0.000  0.757  0.750  1.0
  Mn  Mn1  1  1.000  0.243  0.250  1.0
  Mn  Mn2  1  0.757  0.757  0.250  1.0
  Mn  Mn3  1  0.758  1.000  0.750  1.0
  Mn  Mn4  1  0.243  0.243  0.750  1.0
  Mn  Mn5  1  0.242  0.000  0.250  1.0
  Mn  Mn6  1  0.333  0.667  0.500  1.0
  Mn  Mn7  1  0.667  0.333  1.000  1.0
  Mn  Mn8  1  0.667  0.333  0.500  1.0
  Mn  Mn9  1  0.333  0.667  0.000  1.0
  Si  Si10  1  0.400  1.000  0.750  1.0
  Si  Si11  1  0.400  0.400  0.250  1.0
  Si  Si12  1  1.000  0.600  0.250  1.0
  Si  Si13  1  0.000  0.400  0.750  1.0
  Si  Si14  1  0.600  0.600  0.750  1.0
  Si  Si15  1  0.600  0.000  0.250  1.0
[/CIF]
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