The compound described by CsMg6Sb crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 16-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), four equivalent Mg(4), and two equivalent Sb(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one Cs(1), two equivalent Mg(4), and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Mg(2), and one Sb(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to four equivalent Cs(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_CsMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.323
_cell_length_b   9.323
_cell_length_c   4.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.983
_symmetry_Int_Tables_number   1
_cell_volume   252.829
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.719  0.281  0.500  1.0
  Mg  Mg1  1  0.205  0.365  0.500  1.0
  Mg  Mg2  1  0.635  0.795  0.500  1.0
  Mg  Mg3  1  0.139  0.861  0.500  1.0
  Mg  Mg4  1  0.306  0.207  0.000  1.0
  Mg  Mg5  1  0.793  0.694  0.000  1.0
  Mg  Mg6  1  0.302  0.698  0.000  1.0
  Sb  Sb7  1  0.902  0.098  0.000  1.0
[/CIF]
.
The compound described by CsMg6Sb crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded in a 16-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), two equivalent Mg(2), four equivalent Mg(3), four equivalent Mg(4), and two equivalent Sb(1) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a distorted L-shaped geometry to one Cs(1), two equivalent Mg(4), and two equivalent Sb(1) atoms. In the second Mg site, Mg(2) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a distorted single-bond geometry to two equivalent Cs(1), two equivalent Mg(2), and one Sb(1) atom. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to four equivalent Cs(1), two equivalent Mg(2), and four equivalent Mg(1) atoms. Sb(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_CsMg6Sb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.323
_cell_length_b   9.323
_cell_length_c   4.264
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   136.983
_symmetry_Int_Tables_number   1
_cell_volume   252.829
_cell_formula_units_Z   1
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
  Cs  Cs0  1  0.719  0.281  0.500  1.0
  Mg  Mg1  1  0.205  0.365  0.500  1.0
  Mg  Mg2  1  0.635  0.795  0.500  1.0
  Mg  Mg3  1  0.139  0.861  0.500  1.0
  Mg  Mg4  1  0.306  0.207  0.000  1.0
  Mg  Mg5  1  0.793  0.694  0.000  1.0
  Mg  Mg6  1  0.302  0.698  0.000  1.0
  Sb  Sb7  1  0.902  0.098  0.000  1.0
[/CIF]
.