The structure described by Mg2Sb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Sb(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to two equivalent Sb(1) and four equivalent Sb(2) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form distorted edge-sharing MgSb4 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.153
_cell_length_b   9.153
_cell_length_c   4.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.235
_symmetry_Int_Tables_number   1
_cell_volume   145.815
_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
  Mg  Mg0  1  0.997  0.003  0.000  1.0
  Mg  Mg1  1  0.336  0.664  0.000  1.0
  Mg  Mg2  1  0.670  0.330  0.000  1.0
  Mg  Mg3  1  0.444  0.556  0.500  1.0
  Sb  Sb4  1  0.794  0.206  0.500  1.0
  Sb  Sb5  1  0.093  0.907  0.500  1.0
[/CIF]
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The structure described by Mg2Sb crystallizes in the orthorhombic Amm2 space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted water-like geometry to two equivalent Sb(2) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to four equivalent Sb(1) atoms. In the third Mg site, Mg(3) is bonded in a 6-coordinate geometry to two equivalent Sb(1) and four equivalent Sb(2) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Sb(1) and two equivalent Sb(2) atoms to form distorted edge-sharing MgSb4 cuboctahedra. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 8-coordinate geometry to two equivalent Mg(3), two equivalent Mg(4), and four equivalent Mg(2) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. is represented by the Crystallographic Information File (CIF) [CIF]
data_Mg2Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.153
_cell_length_b   9.153
_cell_length_c   4.910
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   159.235
_symmetry_Int_Tables_number   1
_cell_volume   145.815
_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
  Mg  Mg0  1  0.997  0.003  0.000  1.0
  Mg  Mg1  1  0.336  0.664  0.000  1.0
  Mg  Mg2  1  0.670  0.330  0.000  1.0
  Mg  Mg3  1  0.444  0.556  0.500  1.0
  Sb  Sb4  1  0.794  0.206  0.500  1.0
  Sb  Sb5  1  0.093  0.907  0.500  1.0
[/CIF]
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