The compound described by MgSb2 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Sb(3), two equivalent Sb(1), two equivalent Sb(4), and three equivalent Sb(2) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one Sb(1), two equivalent Sb(2), two equivalent Sb(4), and three equivalent Sb(3) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Mg(2) and two equivalent Mg(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), one Sb(4), and two equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one Mg(1), three equivalent Mg(2), and two equivalent Sb(2) atoms. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and one Sb(2) atom. is represented by the CIF file [CIF]
data_MgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.016
_cell_length_c   7.023
_cell_angle_alpha   74.020
_cell_angle_beta   74.020
_cell_angle_gamma   42.321
_symmetry_Int_Tables_number   1
_cell_volume   163.480
_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  0.619  0.619  0.223  1.0
  Mg  Mg1  1  0.932  0.932  0.640  1.0
  Sb  Sb2  1  0.020  0.020  0.023  1.0
  Sb  Sb3  1  0.322  0.322  0.367  1.0
  Sb  Sb4  1  0.650  0.650  0.620  1.0
  Sb  Sb5  1  0.291  0.291  0.960  1.0
[/CIF]
.
The compound described by MgSb2 crystallizes in the monoclinic Cm space group. There are two inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 6-coordinate geometry to one Sb(3), two equivalent Sb(1), two equivalent Sb(4), and three equivalent Sb(2) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to one Sb(1), two equivalent Sb(2), two equivalent Sb(4), and three equivalent Sb(3) atoms. There are four inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one Mg(2) and two equivalent Mg(1) atoms. In the second Sb site, Sb(2) is bonded in a 8-coordinate geometry to two equivalent Mg(2), three equivalent Mg(1), one Sb(4), and two equivalent Sb(3) atoms. In the third Sb site, Sb(3) is bonded in a 4-coordinate geometry to one Mg(1), three equivalent Mg(2), and two equivalent Sb(2) atoms. In the fourth Sb site, Sb(4) is bonded in a 4-coordinate geometry to two equivalent Mg(1), two equivalent Mg(2), and one Sb(2) atom. is represented by the CIF file [CIF]
data_MgSb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.016
_cell_length_b   6.016
_cell_length_c   7.023
_cell_angle_alpha   74.020
_cell_angle_beta   74.020
_cell_angle_gamma   42.321
_symmetry_Int_Tables_number   1
_cell_volume   163.480
_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  0.619  0.619  0.223  1.0
  Mg  Mg1  1  0.932  0.932  0.640  1.0
  Sb  Sb2  1  0.020  0.020  0.023  1.0
  Sb  Sb3  1  0.322  0.322  0.367  1.0
  Sb  Sb4  1  0.650  0.650  0.620  1.0
  Sb  Sb5  1  0.291  0.291  0.960  1.0
[/CIF]
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