The material described by Mn3Ni4Sb 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 8-coordinate geometry to four Ni(1,1); four equivalent Ni(2); and three equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent Ni(2) and six Ni(1,1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(2), four equivalent Mn(1), and three equivalent Sb(1) atoms. In the third Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. Sb(1) is bonded in a 14-coordinate geometry to six equivalent Mn(1); two Ni(1,1); and six equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Mn3Ni4Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.395
_cell_length_b   7.395
_cell_length_c   7.395
_cell_angle_alpha   32.892
_cell_angle_beta   32.892
_cell_angle_gamma   32.892
_symmetry_Int_Tables_number   1
_cell_volume   106.133
_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  0.246  0.246  0.246  1.0
  Mn  Mn1  1  0.754  0.754  0.754  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.872  0.872  0.872  1.0
  Ni  Ni4  1  0.379  0.379  0.379  1.0
  Ni  Ni5  1  0.128  0.128  0.128  1.0
  Ni  Ni6  1  0.621  0.621  0.621  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
[/CIF]
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The material described by Mn3Ni4Sb 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 8-coordinate geometry to four Ni(1,1); four equivalent Ni(2); and three equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded in a body-centered cubic geometry to two equivalent Ni(2) and six Ni(1,1) atoms. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. In the second Ni site, Ni(2) is bonded in a body-centered cubic geometry to one Mn(2), four equivalent Mn(1), and three equivalent Sb(1) atoms. In the third Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. In the fourth Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to three equivalent Mn(2), four equivalent Mn(1), and one Sb(1) atom. Sb(1) is bonded in a 14-coordinate geometry to six equivalent Mn(1); two Ni(1,1); and six equivalent Ni(2) atoms. is represented by the CIF file [CIF]
data_Mn3Ni4Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.395
_cell_length_b   7.395
_cell_length_c   7.395
_cell_angle_alpha   32.892
_cell_angle_beta   32.892
_cell_angle_gamma   32.892
_symmetry_Int_Tables_number   1
_cell_volume   106.133
_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  0.246  0.246  0.246  1.0
  Mn  Mn1  1  0.754  0.754  0.754  1.0
  Mn  Mn2  1  0.500  0.500  0.500  1.0
  Ni  Ni3  1  0.872  0.872  0.872  1.0
  Ni  Ni4  1  0.379  0.379  0.379  1.0
  Ni  Ni5  1  0.128  0.128  0.128  1.0
  Ni  Ni6  1  0.621  0.621  0.621  1.0
  Sb  Sb7  1  0.000  0.000  0.000  1.0
[/CIF]
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