The material structure described by KLiMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form KLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. Li(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LiK2Mg10 cuboctahedra that share corners with four equivalent K(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent K(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Li2Mg8 cuboctahedra that share corners with four equivalent K(1)Li2Mg10 cuboctahedra, corners with four equivalent Li(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent K(1)Li2Mg10 cuboctahedra, edges with two equivalent Li(1)K2Mg10 cuboctahedra, edges with two equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to two equivalent K(1), two equivalent Li(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Li(1)K2Mg10 cuboctahedra, edges with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, and faces with six equivalent K(1)Li2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_KLiMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.434
_cell_length_b   6.490
_cell_length_c   6.793
_cell_angle_alpha   118.534
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.456
_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
  K  K0  1  0.500  0.169  0.339  1.0
  Li  Li1  1  0.500  0.667  0.334  1.0
  Mg  Mg2  1  0.500  0.666  0.837  1.0
  Mg  Mg3  1  0.500  0.170  0.837  1.0
  Mg  Mg4  1  0.000  0.814  0.154  1.0
  Mg  Mg5  1  0.000  0.340  0.154  1.0
  Mg  Mg6  1  0.000  0.341  0.683  1.0
  Mg  Mg7  1  0.000  0.831  0.663  1.0
[/CIF]
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The material structure described by KLiMg6 crystallizes in the orthorhombic Amm2 space group. K(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form KLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)K2Mg10 cuboctahedra, corners with six equivalent K(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent Li(1)K2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. Li(1) is bonded to two equivalent K(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LiK2Mg10 cuboctahedra that share corners with four equivalent K(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)K2Mg10 cuboctahedra, corners with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent K(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent K(1), two equivalent Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgK2Li2Mg8 cuboctahedra that share corners with four equivalent K(1)Li2Mg10 cuboctahedra, corners with four equivalent Li(1)K2Mg10 cuboctahedra, corners with ten equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with two equivalent K(1)Li2Mg10 cuboctahedra, edges with two equivalent Li(1)K2Mg10 cuboctahedra, edges with two equivalent Mg(1)K2Li2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent K(1)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, and faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded in a 11-coordinate geometry to two equivalent K(1), two equivalent Li(1), one Mg(3), two equivalent Mg(1), two equivalent Mg(2), and two equivalent Mg(4) atoms. In the third Mg site, Mg(3) is bonded in a 10-coordinate geometry to two equivalent K(1), two equivalent Mg(2), two equivalent Mg(4), and four equivalent Mg(1) atoms. In the fourth Mg site, Mg(4) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgLi2Mg10 cuboctahedra that share corners with six equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Li(1)K2Mg10 cuboctahedra, edges with eight equivalent Mg(1)K2Li2Mg8 cuboctahedra, faces with two equivalent Li(1)K2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)K2Li2Mg8 cuboctahedra, and faces with six equivalent K(1)Li2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_KLiMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.434
_cell_length_b   6.490
_cell_length_c   6.793
_cell_angle_alpha   118.534
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   210.456
_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
  K  K0  1  0.500  0.169  0.339  1.0
  Li  Li1  1  0.500  0.667  0.334  1.0
  Mg  Mg2  1  0.500  0.666  0.837  1.0
  Mg  Mg3  1  0.500  0.170  0.837  1.0
  Mg  Mg4  1  0.000  0.814  0.154  1.0
  Mg  Mg5  1  0.000  0.340  0.154  1.0
  Mg  Mg6  1  0.000  0.341  0.683  1.0
  Mg  Mg7  1  0.000  0.831  0.663  1.0
[/CIF]
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