The material structure described by Mg2Sb crystallizes in the monoclinic Cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one Sb(2) and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to one Sb(1) and three equivalent Sb(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), and three 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   6.272
_cell_length_b   6.272
_cell_length_c   7.407
_cell_angle_alpha   80.198
_cell_angle_beta   80.198
_cell_angle_gamma   30.637
_symmetry_Int_Tables_number   1
_cell_volume   146.141
_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  0.002  0.002  0.004  1.0
  Mg  Mg1  1  0.348  0.348  0.332  1.0
  Mg  Mg2  1  0.652  0.652  0.659  1.0
  Mg  Mg3  1  0.276  0.276  0.944  1.0
  Sb  Sb4  1  0.639  0.639  0.251  1.0
  Sb  Sb5  1  0.916  0.916  0.643  1.0
[/CIF]
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The material structure described by Mg2Sb crystallizes in the monoclinic Cm space group. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 3-coordinate geometry to one Sb(2) and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. In the third Mg site, Mg(3) is bonded in a 4-coordinate geometry to one Sb(1) and three equivalent Sb(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 4-coordinate geometry to two equivalent Sb(1) and two equivalent Sb(2) atoms. There are two inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 7-coordinate geometry to one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to one Mg(1), two equivalent Mg(2), two equivalent Mg(4), and three 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   6.272
_cell_length_b   6.272
_cell_length_c   7.407
_cell_angle_alpha   80.198
_cell_angle_beta   80.198
_cell_angle_gamma   30.637
_symmetry_Int_Tables_number   1
_cell_volume   146.141
_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  0.002  0.002  0.004  1.0
  Mg  Mg1  1  0.348  0.348  0.332  1.0
  Mg  Mg2  1  0.652  0.652  0.659  1.0
  Mg  Mg3  1  0.276  0.276  0.944  1.0
  Sb  Sb4  1  0.639  0.639  0.251  1.0
  Sb  Sb5  1  0.916  0.916  0.643  1.0
[/CIF]
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