The crystal structure described by Mn2Sb crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Sb(1) atoms to form distorted MnMn8Sb4 cuboctahedra that share corners with four equivalent Mn(1)Mn8Sb4 cuboctahedra, corners with four equivalent Mn(2)Mn4Sb5 square pyramids, edges with eight equivalent Mn(2)Mn4Sb5 square pyramids, faces with eight equivalent Mn(1)Mn8Sb4 cuboctahedra, and faces with four equivalent Mn(2)Mn4Sb5 square pyramids. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1) and five equivalent Sb(1) atoms to form distorted MnMn4Sb5 square pyramids that share corners with four equivalent Mn(1)Mn8Sb4 cuboctahedra, corners with four equivalent Mn(2)Mn4Sb5 square pyramids, edges with eight equivalent Mn(1)Mn8Sb4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Sb5 square pyramids, faces with four equivalent Mn(1)Mn8Sb4 cuboctahedra, and faces with four equivalent Mn(2)Mn4Sb5 square pyramids. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Mn(1) and five equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.038
_cell_length_b   4.038
_cell_length_c   6.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.723
_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  0.250  0.750  0.000  1.0
  Mn  Mn1  1  0.750  0.250  0.000  1.0
  Mn  Mn2  1  0.250  0.250  0.304  1.0
  Mn  Mn3  1  0.750  0.750  0.696  1.0
  Sb  Sb4  1  0.250  0.250  0.712  1.0
  Sb  Sb5  1  0.750  0.750  0.288  1.0
[/CIF]
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The crystal structure described by Mn2Sb crystallizes in the tetragonal P4/nmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to four equivalent Mn(1), four equivalent Mn(2), and four equivalent Sb(1) atoms to form distorted MnMn8Sb4 cuboctahedra that share corners with four equivalent Mn(1)Mn8Sb4 cuboctahedra, corners with four equivalent Mn(2)Mn4Sb5 square pyramids, edges with eight equivalent Mn(2)Mn4Sb5 square pyramids, faces with eight equivalent Mn(1)Mn8Sb4 cuboctahedra, and faces with four equivalent Mn(2)Mn4Sb5 square pyramids. In the second Mn site, Mn(2) is bonded to four equivalent Mn(1) and five equivalent Sb(1) atoms to form distorted MnMn4Sb5 square pyramids that share corners with four equivalent Mn(1)Mn8Sb4 cuboctahedra, corners with four equivalent Mn(2)Mn4Sb5 square pyramids, edges with eight equivalent Mn(1)Mn8Sb4 cuboctahedra, edges with eight equivalent Mn(2)Mn4Sb5 square pyramids, faces with four equivalent Mn(1)Mn8Sb4 cuboctahedra, and faces with four equivalent Mn(2)Mn4Sb5 square pyramids. Sb(1) is bonded in a 9-coordinate geometry to four equivalent Mn(1) and five equivalent Mn(2) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mn2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.038
_cell_length_b   4.038
_cell_length_c   6.791
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   110.723
_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  0.250  0.750  0.000  1.0
  Mn  Mn1  1  0.750  0.250  0.000  1.0
  Mn  Mn2  1  0.250  0.250  0.304  1.0
  Mn  Mn3  1  0.750  0.750  0.696  1.0
  Sb  Sb4  1  0.250  0.250  0.712  1.0
  Sb  Sb5  1  0.750  0.750  0.288  1.0
[/CIF]
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