The compound described by CsKMg6 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form CsK2Mg10 cuboctahedra that share corners with six equivalent Cs(1)K2Mg10 cuboctahedra, edges with four equivalent K(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)K2Mg10 cuboctahedra, and faces with two equivalent K(1)Cs2Mg10 cuboctahedra. K(1) is bonded to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted KCs2Mg10 cuboctahedra that share corners with six equivalent K(1)Cs2Mg10 cuboctahedra, edges with four equivalent Cs(1)K2Mg10 cuboctahedra, faces with two equivalent Cs(1)K2Mg10 cuboctahedra, and faces with two equivalent K(1)Cs2Mg10 cuboctahedra. 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), two equivalent K(1), one Mg(1), one 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 K(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_CsKMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   7.315
_cell_length_c   7.315
_cell_angle_alpha   115.215
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.578
_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  0.327  0.673  1.0
  K  K1  1  0.000  0.163  0.837  1.0
  Mg  Mg2  1  0.000  0.123  0.282  1.0
  Mg  Mg3  1  1.000  0.718  0.877  1.0
  Mg  Mg4  1  0.000  0.669  0.331  1.0
  Mg  Mg5  1  0.500  0.380  0.217  1.0
  Mg  Mg6  1  0.500  0.783  0.620  1.0
  Mg  Mg7  1  0.500  0.836  0.164  1.0
[/CIF]
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The compound described by CsKMg6 crystallizes in the orthorhombic Amm2 space group. Cs(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form CsK2Mg10 cuboctahedra that share corners with six equivalent Cs(1)K2Mg10 cuboctahedra, edges with four equivalent K(1)Cs2Mg10 cuboctahedra, faces with two equivalent Cs(1)K2Mg10 cuboctahedra, and faces with two equivalent K(1)Cs2Mg10 cuboctahedra. K(1) is bonded to two equivalent Cs(1), two equivalent Mg(2), four equivalent Mg(1), and four equivalent Mg(3) atoms to form distorted KCs2Mg10 cuboctahedra that share corners with six equivalent K(1)Cs2Mg10 cuboctahedra, edges with four equivalent Cs(1)K2Mg10 cuboctahedra, faces with two equivalent Cs(1)K2Mg10 cuboctahedra, and faces with two equivalent K(1)Cs2Mg10 cuboctahedra. 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), two equivalent K(1), one Mg(1), one 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 K(1), two equivalent Mg(1), two equivalent Mg(4), and four equivalent Mg(3) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent K(1), one Mg(3), one Mg(4), two equivalent Mg(1), and two equivalent Mg(2) atoms. In the fourth Mg site, Mg(4) is bonded in a 10-coordinate geometry to two equivalent Cs(1), two equivalent Mg(2), two equivalent Mg(3), and four equivalent Mg(1) atoms. is represented by the CIF card [CIF]
data_CsKMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.465
_cell_length_b   7.315
_cell_length_c   7.315
_cell_angle_alpha   115.215
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   264.578
_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  0.327  0.673  1.0
  K  K1  1  0.000  0.163  0.837  1.0
  Mg  Mg2  1  0.000  0.123  0.282  1.0
  Mg  Mg3  1  1.000  0.718  0.877  1.0
  Mg  Mg4  1  0.000  0.669  0.331  1.0
  Mg  Mg5  1  0.500  0.380  0.217  1.0
  Mg  Mg6  1  0.500  0.783  0.620  1.0
  Mg  Mg7  1  0.500  0.836  0.164  1.0
[/CIF]
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