The compound described by Mn7Ni8Sn is Heusler-like 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 8-coordinate geometry to one Ni(4), three equivalent Ni(1), four equivalent Ni(3), and three equivalent Sn(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one Ni(1); three equivalent Ni(4); and four Ni(2,2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one Ni(2), one Ni(3), three equivalent Ni(1), and three equivalent Ni(4) atoms. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent Ni(4) and six Ni(2,2) atoms. There are nine inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the third Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Mn(2), three equivalent Mn(1), three equivalent Mn(3), and one Sn(1) atom. In the fifth Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the sixth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. In the seventh Ni site, Ni(4) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(4), three equivalent Mn(2), and three equivalent Mn(3) atoms. In the eighth Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the ninth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. Sn(1) is bonded in a 14-coordinate geometry to six equivalent Mn(1); two equivalent Ni(1); and six Ni(3,3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn7Ni8Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.883
_cell_length_b   13.883
_cell_length_c   13.883
_cell_angle_alpha   17.151
_cell_angle_beta   17.151
_cell_angle_gamma   17.151
_symmetry_Int_Tables_number   1
_cell_volume   203.031
_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  0.377  0.377  0.377  1.0
  Mn  Mn1  1  0.126  0.126  0.126  1.0
  Mn  Mn2  1  0.623  0.623  0.623  1.0
  Mn  Mn3  1  0.874  0.874  0.874  1.0
  Mn  Mn4  1  0.248  0.248  0.248  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.752  0.752  0.752  1.0
  Ni  Ni7  1  0.065  0.065  0.065  1.0
  Ni  Ni8  1  0.813  0.813  0.813  1.0
  Ni  Ni9  1  0.309  0.309  0.309  1.0
  Ni  Ni10  1  0.562  0.562  0.562  1.0
  Ni  Ni11  1  0.691  0.691  0.691  1.0
  Ni  Ni12  1  0.438  0.438  0.438  1.0
  Ni  Ni13  1  0.935  0.935  0.935  1.0
  Ni  Ni14  1  0.187  0.187  0.187  1.0
  Sn  Sn15  1  0.000  0.000  0.000  1.0
[/CIF]
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The compound described by Mn7Ni8Sn is Heusler-like 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 8-coordinate geometry to one Ni(4), three equivalent Ni(1), four equivalent Ni(3), and three equivalent Sn(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to one Ni(1); three equivalent Ni(4); and four Ni(2,2) atoms. In the third Mn site, Mn(3) is bonded in a body-centered cubic geometry to one Ni(2), one Ni(3), three equivalent Ni(1), and three equivalent Ni(4) atoms. In the fourth Mn site, Mn(4) is bonded in a body-centered cubic geometry to two equivalent Ni(4) and six Ni(2,2) atoms. There are nine inequivalent Ni sites. In the first Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the third Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to one Mn(2), three equivalent Mn(1), three equivalent Mn(3), and one Sn(1) atom. In the fifth Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the sixth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. In the seventh Ni site, Ni(4) is bonded in a body-centered cubic geometry to one Mn(1), one Mn(4), three equivalent Mn(2), and three equivalent Mn(3) atoms. In the eighth Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(3), three equivalent Mn(4), and four equivalent Mn(2) atoms. In the ninth Ni site, Ni(3) is bonded in a distorted body-centered cubic geometry to one Mn(3), four equivalent Mn(1), and three equivalent Sn(1) atoms. Sn(1) is bonded in a 14-coordinate geometry to six equivalent Mn(1); two equivalent Ni(1); and six Ni(3,3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn7Ni8Sn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   13.883
_cell_length_b   13.883
_cell_length_c   13.883
_cell_angle_alpha   17.151
_cell_angle_beta   17.151
_cell_angle_gamma   17.151
_symmetry_Int_Tables_number   1
_cell_volume   203.031
_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  0.377  0.377  0.377  1.0
  Mn  Mn1  1  0.126  0.126  0.126  1.0
  Mn  Mn2  1  0.623  0.623  0.623  1.0
  Mn  Mn3  1  0.874  0.874  0.874  1.0
  Mn  Mn4  1  0.248  0.248  0.248  1.0
  Mn  Mn5  1  0.500  0.500  0.500  1.0
  Mn  Mn6  1  0.752  0.752  0.752  1.0
  Ni  Ni7  1  0.065  0.065  0.065  1.0
  Ni  Ni8  1  0.813  0.813  0.813  1.0
  Ni  Ni9  1  0.309  0.309  0.309  1.0
  Ni  Ni10  1  0.562  0.562  0.562  1.0
  Ni  Ni11  1  0.691  0.691  0.691  1.0
  Ni  Ni12  1  0.438  0.438  0.438  1.0
  Ni  Ni13  1  0.935  0.935  0.935  1.0
  Ni  Ni14  1  0.187  0.187  0.187  1.0
  Sn  Sn15  1  0.000  0.000  0.000  1.0
[/CIF]
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