The material structure described by Mn3Ni4Sb crystallizes in the orthorhombic Pmma space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to two equivalent Mn(2), four equivalent Ni(1), four equivalent Ni(2), and two equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. In the third Mn site, Mn(3) is bonded in a 10-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and two equivalent Sb(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and two equivalent Sb(1) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and two equivalent Sb(1) atoms. Sb(1) is bonded to two equivalent Mn(1), two equivalent Mn(3), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of edge, face, and corner-sharing SbMn4Ni8 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Ni4Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.379
_cell_length_b   5.738
_cell_length_c   8.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.117
_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  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.587  0.000  0.750  1.0
  Mn  Mn3  1  0.413  0.000  0.250  1.0
  Mn  Mn4  1  0.581  0.500  0.750  1.0
  Mn  Mn5  1  0.419  0.500  0.250  1.0
  Ni  Ni6  1  0.500  0.761  0.000  1.0
  Ni  Ni7  1  0.500  0.761  0.500  1.0
  Ni  Ni8  1  0.500  0.239  0.000  1.0
  Ni  Ni9  1  0.500  0.239  0.500  1.0
  Ni  Ni10  1  0.107  0.760  0.750  1.0
  Ni  Ni11  1  0.893  0.760  0.250  1.0
  Ni  Ni12  1  0.893  0.240  0.250  1.0
  Ni  Ni13  1  0.107  0.240  0.750  1.0
  Sb  Sb14  1  0.000  0.500  0.000  1.0
  Sb  Sb15  1  0.000  0.500  0.500  1.0
[/CIF]
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The material structure described by Mn3Ni4Sb crystallizes in the orthorhombic Pmma space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 12-coordinate geometry to two equivalent Mn(2), four equivalent Ni(1), four equivalent Ni(2), and two equivalent Sb(1) atoms. In the second Mn site, Mn(2) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), four equivalent Ni(1), and four equivalent Ni(2) atoms. In the third Mn site, Mn(3) is bonded in a 10-coordinate geometry to four equivalent Ni(1), four equivalent Ni(2), and two equivalent Sb(1) atoms. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a distorted body-centered cubic geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and two equivalent Sb(1) atoms. In the second Ni site, Ni(2) is bonded in a 8-coordinate geometry to two equivalent Mn(1), two equivalent Mn(2), two equivalent Mn(3), and two equivalent Sb(1) atoms. Sb(1) is bonded to two equivalent Mn(1), two equivalent Mn(3), four equivalent Ni(1), and four equivalent Ni(2) atoms to form a mixture of edge, face, and corner-sharing SbMn4Ni8 cuboctahedra. is represented by the CIF card [CIF]
data_Mn3Ni4Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.379
_cell_length_b   5.738
_cell_length_c   8.601
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   216.117
_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  0.000  0.000  1.0
  Mn  Mn1  1  0.000  0.000  0.500  1.0
  Mn  Mn2  1  0.587  0.000  0.750  1.0
  Mn  Mn3  1  0.413  0.000  0.250  1.0
  Mn  Mn4  1  0.581  0.500  0.750  1.0
  Mn  Mn5  1  0.419  0.500  0.250  1.0
  Ni  Ni6  1  0.500  0.761  0.000  1.0
  Ni  Ni7  1  0.500  0.761  0.500  1.0
  Ni  Ni8  1  0.500  0.239  0.000  1.0
  Ni  Ni9  1  0.500  0.239  0.500  1.0
  Ni  Ni10  1  0.107  0.760  0.750  1.0
  Ni  Ni11  1  0.893  0.760  0.250  1.0
  Ni  Ni12  1  0.893  0.240  0.250  1.0
  Ni  Ni13  1  0.107  0.240  0.750  1.0
  Sb  Sb14  1  0.000  0.500  0.000  1.0
  Sb  Sb15  1  0.000  0.500  0.500  1.0
[/CIF]
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