The compound described by Mn5Ni8Sn3 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Ni(2), three equivalent Ni(4), four equivalent Ni(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Ni(4), three equivalent Ni(2), four equivalent Ni(3), and three equivalent Sn(1) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to two equivalent Ni(2) and six equivalent Ni(3) atoms. In the fourth Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Ni(2), three equivalent Ni(4), four equivalent Ni(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. In the second Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(1), one Sn(1), and three equivalent Sn(2) atoms. In the third Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to one Mn(1), one Mn(3), three equivalent Mn(2), and three equivalent Sn(1) atoms. In the fourth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. In the fifth Ni site, Ni(4) is bonded in a distorted body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 14-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Ni(1), one Ni(3), three equivalent Ni(2), and three equivalent Ni(4) atoms. In the second Sn site, Sn(2) is bonded in a 14-coordinate geometry to six equivalent Mn(1), two equivalent Ni(4), and six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Mn5Ni8Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.003
_cell_length_b   14.003
_cell_length_c   14.003
_cell_angle_alpha   17.337
_cell_angle_beta   17.337
_cell_angle_gamma   17.337
_symmetry_Int_Tables_number   1
_cell_volume   212.779
_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  0.125  0.125  0.125  1.0
  Mn  Mn1  1  0.374  0.374  0.374  1.0
  Mn  Mn2  1  0.626  0.626  0.626  1.0
  Mn  Mn3  1  0.875  0.875  0.875  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.813  0.813  0.813  1.0
  Ni  Ni6  1  0.060  0.060  0.060  1.0
  Ni  Ni7  1  0.315  0.315  0.315  1.0
  Ni  Ni8  1  0.563  0.563  0.563  1.0
  Ni  Ni9  1  0.437  0.437  0.437  1.0
  Ni  Ni10  1  0.685  0.685  0.685  1.0
  Ni  Ni11  1  0.940  0.940  0.940  1.0
  Ni  Ni12  1  0.187  0.187  0.187  1.0
  Sn  Sn13  1  0.251  0.251  0.251  1.0
  Sn  Sn14  1  0.500  0.500  0.500  1.0
  Sn  Sn15  1  0.749  0.749  0.749  1.0
[/CIF]
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The compound described by Mn5Ni8Sn3 is Tungsten-derived structured and crystallizes in the trigonal R-3m space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Ni(2), three equivalent Ni(4), four equivalent Ni(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to one Ni(4), three equivalent Ni(2), four equivalent Ni(3), and three equivalent Sn(1) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to two equivalent Ni(2) and six equivalent Ni(3) atoms. In the fourth Mn site, Mn(1) is bonded in a distorted body-centered cubic geometry to one Ni(2), three equivalent Ni(4), four equivalent Ni(1), three equivalent Sn(1), and three equivalent Sn(2) atoms. There are five inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. In the second Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to four equivalent Mn(1), one Sn(1), and three equivalent Sn(2) atoms. In the third Ni site, Ni(2) is bonded in a distorted body-centered cubic geometry to one Mn(1), one Mn(3), three equivalent Mn(2), and three equivalent Sn(1) atoms. In the fourth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(3), four equivalent Mn(2), and one Sn(1) atom. In the fifth Ni site, Ni(4) is bonded in a distorted body-centered cubic geometry to one Mn(2), three equivalent Mn(1), one Sn(2), and three equivalent Sn(1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 14-coordinate geometry to three equivalent Mn(1), three equivalent Mn(2), one Ni(1), one Ni(3), three equivalent Ni(2), and three equivalent Ni(4) atoms. In the second Sn site, Sn(2) is bonded in a 14-coordinate geometry to six equivalent Mn(1), two equivalent Ni(4), and six equivalent Ni(1) atoms. is represented by the CIF card [CIF]
data_Mn5Ni8Sn3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   14.003
_cell_length_b   14.003
_cell_length_c   14.003
_cell_angle_alpha   17.337
_cell_angle_beta   17.337
_cell_angle_gamma   17.337
_symmetry_Int_Tables_number   1
_cell_volume   212.779
_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  0.125  0.125  0.125  1.0
  Mn  Mn1  1  0.374  0.374  0.374  1.0
  Mn  Mn2  1  0.626  0.626  0.626  1.0
  Mn  Mn3  1  0.875  0.875  0.875  1.0
  Mn  Mn4  1  0.000  0.000  0.000  1.0
  Ni  Ni5  1  0.813  0.813  0.813  1.0
  Ni  Ni6  1  0.060  0.060  0.060  1.0
  Ni  Ni7  1  0.315  0.315  0.315  1.0
  Ni  Ni8  1  0.563  0.563  0.563  1.0
  Ni  Ni9  1  0.437  0.437  0.437  1.0
  Ni  Ni10  1  0.685  0.685  0.685  1.0
  Ni  Ni11  1  0.940  0.940  0.940  1.0
  Ni  Ni12  1  0.187  0.187  0.187  1.0
  Sn  Sn13  1  0.251  0.251  0.251  1.0
  Sn  Sn14  1  0.500  0.500  0.500  1.0
  Sn  Sn15  1  0.749  0.749  0.749  1.0
[/CIF]
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