The material described by CsLiMg6 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form a mixture of corner and face-sharing CsLi2Mg10 cuboctahedra. Li(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), and four equivalent Mg(3) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Li(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Cs(1), two equivalent Li(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the CIF card [CIF]
data_CsLiMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   6.910
_cell_length_c   6.910
_cell_angle_alpha   116.615
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.983
_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  0.500  0.325  0.675  1.0
  Li  Li1  1  0.000  0.150  0.850  1.0
  Mg  Mg2  1  1.000  0.145  0.283  1.0
  Mg  Mg3  1  1.000  0.717  0.855  1.0
  Mg  Mg4  1  0.000  0.668  0.332  1.0
  Mg  Mg5  1  0.500  0.334  0.178  1.0
  Mg  Mg6  1  0.500  0.822  0.666  1.0
  Mg  Mg7  1  0.500  0.838  0.162  1.0
[/CIF]
.
The material described by CsLiMg6 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form a mixture of corner and face-sharing CsLi2Mg10 cuboctahedra. Li(1) is bonded in a 8-coordinate geometry to two equivalent Cs(1), two equivalent Mg(1), and four equivalent Mg(3) atoms. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded in a 10-coordinate geometry to two equivalent Cs(1), one Li(1), one Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms. In the second Mg site, Mg(2) is bonded in a 10-coordinate geometry to two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 11-coordinate geometry to two equivalent Cs(1), two equivalent Li(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the fourth Mg site, Mg(4) is bonded in a 12-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms. is represented by the CIF card [CIF]
data_CsLiMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.341
_cell_length_b   6.910
_cell_length_c   6.910
_cell_angle_alpha   116.615
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   227.983
_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  0.500  0.325  0.675  1.0
  Li  Li1  1  0.000  0.150  0.850  1.0
  Mg  Mg2  1  1.000  0.145  0.283  1.0
  Mg  Mg3  1  1.000  0.717  0.855  1.0
  Mg  Mg4  1  0.000  0.668  0.332  1.0
  Mg  Mg5  1  0.500  0.334  0.178  1.0
  Mg  Mg6  1  0.500  0.822  0.666  1.0
  Mg  Mg7  1  0.500  0.838  0.162  1.0
[/CIF]
.