The material structure described by LiCaMg6 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LiCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Ca(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Ca2Mg10 cuboctahedra. Ca(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CaLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Li(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form MgLi2Ca2Mg8 cuboctahedra that share corners with four equivalent Li(1)Ca2Mg10 cuboctahedra, corners with four equivalent Ca(1)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Li(1)Ca2Mg10 cuboctahedra, edges with two equivalent Ca(1)Li2Mg10 cuboctahedra, edges with two equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, and faces with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgLi2Ca2Mg8 cuboctahedra that share corners with four equivalent Mg(3)Ca2Mg10 cuboctahedra, corners with four equivalent Mg(4)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Li(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Ca(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with six equivalent Li(1)Ca2Mg10 cuboctahedra. 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 four equivalent Mg(3)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Li(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with six equivalent Ca(1)Li2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_LiCaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.280
_cell_length_b   6.512
_cell_length_c   6.627
_cell_angle_alpha   119.427
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.475
_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
  Ca  Ca0  1  0.500  0.167  0.334  1.0
  Li  Li1  1  0.500  0.665  0.331  1.0
  Mg  Mg2  1  0.500  0.665  0.836  1.0
  Mg  Mg3  1  0.500  0.172  0.836  1.0
  Mg  Mg4  1  0.000  0.824  0.163  1.0
  Mg  Mg5  1  1.000  0.339  0.163  1.0
  Mg  Mg6  1  0.000  0.336  0.673  1.0
  Mg  Mg7  1  0.000  0.832  0.663  1.0
[/CIF]
.
The material structure described by LiCaMg6 crystallizes in the orthorhombic Amm2 space group. Li(1) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form LiCa2Mg10 cuboctahedra that share corners with four equivalent Ca(1)Li2Mg10 cuboctahedra, corners with six equivalent Li(1)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Ca(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, edges with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with six equivalent Mg(3)Ca2Mg10 cuboctahedra. Ca(1) is bonded to two equivalent Li(1), two equivalent Mg(3), four equivalent Mg(1), and four equivalent Mg(2) atoms to form CaLi2Mg10 cuboctahedra that share corners with four equivalent Li(1)Ca2Mg10 cuboctahedra, corners with six equivalent Ca(1)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Li(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with six equivalent Mg(4)Li2Mg10 cuboctahedra. There are four inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form MgLi2Ca2Mg8 cuboctahedra that share corners with four equivalent Li(1)Ca2Mg10 cuboctahedra, corners with four equivalent Ca(1)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Li(1)Ca2Mg10 cuboctahedra, edges with two equivalent Ca(1)Li2Mg10 cuboctahedra, edges with two equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with four equivalent Mg(4)Li2Mg10 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, and faces with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Li(1), two equivalent Ca(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(3), and two equivalent Mg(4) atoms to form distorted MgLi2Ca2Mg8 cuboctahedra that share corners with four equivalent Mg(3)Ca2Mg10 cuboctahedra, corners with four equivalent Mg(4)Li2Mg10 cuboctahedra, corners with ten equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with two equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Li(1)Ca2Mg10 cuboctahedra, edges with four equivalent Ca(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra. In the third Mg site, Mg(3) is bonded to two equivalent Ca(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(2) atoms to form distorted MgCa2Mg10 cuboctahedra that share corners with four equivalent Mg(4)Li2Mg10 cuboctahedra, corners with six equivalent Mg(3)Ca2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Mg(4)Li2Mg10 cuboctahedra, edges with four equivalent Ca(1)Li2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Ca(1)Li2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with six equivalent Li(1)Ca2Mg10 cuboctahedra. 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 four equivalent Mg(3)Ca2Mg10 cuboctahedra, corners with six equivalent Mg(4)Li2Mg10 cuboctahedra, corners with eight equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with two equivalent Mg(3)Ca2Mg10 cuboctahedra, edges with four equivalent Li(1)Ca2Mg10 cuboctahedra, edges with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, edges with eight equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with two equivalent Li(1)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(3)Ca2Mg10 cuboctahedra, faces with two equivalent Mg(4)Li2Mg10 cuboctahedra, faces with four equivalent Mg(1)Li2Ca2Mg8 cuboctahedra, faces with four equivalent Mg(2)Li2Ca2Mg8 cuboctahedra, and faces with six equivalent Ca(1)Li2Mg10 cuboctahedra. is represented by the CIF file [CIF]
data_LiCaMg6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.280
_cell_length_b   6.512
_cell_length_c   6.627
_cell_angle_alpha   119.427
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   198.475
_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
  Ca  Ca0  1  0.500  0.167  0.334  1.0
  Li  Li1  1  0.500  0.665  0.331  1.0
  Mg  Mg2  1  0.500  0.665  0.836  1.0
  Mg  Mg3  1  0.500  0.172  0.836  1.0
  Mg  Mg4  1  0.000  0.824  0.163  1.0
  Mg  Mg5  1  1.000  0.339  0.163  1.0
  Mg  Mg6  1  0.000  0.336  0.673  1.0
  Mg  Mg7  1  0.000  0.832  0.663  1.0
[/CIF]
.