The material structure described by LiMg14Cr crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six Mg(1,1) and six Mg(3,3) atoms to form LiMg12 cuboctahedra that share corners with six equivalent Li(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with six Mg(1,1)Li2Mg10 cuboctahedra; edges with twelve Mg(3,3)LiMg10Cr cuboctahedra; faces with two equivalent Cr(1)Mg12 cuboctahedra; faces with six Mg(1,1)Li2Mg10 cuboctahedra; faces with six Mg(3,3)LiMg10Cr cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(1,1); and four Mg(3,3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Cr(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with four Mg(1,1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)LiMg10Cr cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with four Mg(1,1)Li2Mg10 cuboctahedra; and faces with ten Mg(3,3)LiMg10Cr cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four equivalent Mg(2); four Mg(3,3); and two equivalent Cr(1) atoms to form MgMg10Cr2 cuboctahedra that share corners with four equivalent Li(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Cr2 cuboctahedra; corners with eight Mg(1,1)Li2Mg10 cuboctahedra; edges with two equivalent Cr(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)LiMg10Cr cuboctahedra; faces with two equivalent Mg(1)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Cr(1)Mg12 cuboctahedra; faces with four equivalent Mg(2)Mg10Cr2 cuboctahedra; and faces with ten Mg(3,3)LiMg10Cr cuboctahedra. In the third Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Cr(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight equivalent Mg(3)LiMg10Cr cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with four equivalent Mg(1)Li2Mg10 cuboctahedra; and faces with ten Mg(3,3)LiMg10Cr cuboctahedra. In the fourth Mg site, Mg(3) is bonded to one Li(1); two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); and one Cr(1) atom to form distorted MgLiMg10Cr cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)LiMg10Cr cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Cr(1)Mg12 cuboctahedra; edges with four Mg(1,1)Li2Mg10 cuboctahedra; edges with four Mg(3,3)LiMg10Cr cuboctahedra; edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra;  a faceface with one Li(1)Mg12 cuboctahedra;  a faceface with one Cr(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(1,1)Li2Mg10 cuboctahedra; faces with five equivalent Mg(2)Mg10Cr2 cuboctahedra; and faces with six Mg(3,3)LiMg10Cr cuboctahedra. In the fifth Mg site, Mg(3) is bonded to one Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Cr(1) atom to form distorted MgLiMg10Cr cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)LiMg10Cr cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Cr(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)LiMg10Cr cuboctahedra; edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra;  a faceface with one Li(1)Mg12 cuboctahedra;  a faceface with one Cr(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(1,1)Li2Mg10 cuboctahedra; faces with five equivalent Mg(2)Mg10Cr2 cuboctahedra; and faces with six Mg(3,3)LiMg10Cr cuboctahedra. In the sixth Mg site, Mg(4) is bonded to three Mg(1,1); three equivalent Mg(2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; corners with twelve Mg(3,3)LiMg10Cr cuboctahedra; edges with six Mg(1,1)Li2Mg10 cuboctahedra; edges with six Mg(3,3)LiMg10Cr cuboctahedra; edges with six equivalent Mg(2)Mg10Cr2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Li(1)Mg12 cuboctahedra; faces with three Mg(1,1)Li2Mg10 cuboctahedra; faces with three equivalent Mg(2)Mg10Cr2 cuboctahedra; faces with three equivalent Cr(1)Mg12 cuboctahedra; and faces with six Mg(3,3)LiMg10Cr cuboctahedra. Cr(1) is bonded to six equivalent Mg(2) and six Mg(3,3) atoms to form CrMg12 cuboctahedra that share corners with six equivalent Cr(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Li2Mg10 cuboctahedra; edges with six equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with twelve Mg(3,3)LiMg10Cr cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with six Mg(3,3)LiMg10Cr cuboctahedra; faces with six equivalent Mg(2)Mg10Cr2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.356
_cell_length_b   6.356
_cell_length_c   10.065
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   352.108
_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
  Li  Li0  1  0.167  0.333  0.125  1.0
  Mg  Mg1  1  0.168  0.834  0.125  1.0
  Mg  Mg2  1  0.168  0.834  0.625  1.0
  Mg  Mg3  1  0.666  0.332  0.125  1.0
  Mg  Mg4  1  0.666  0.332  0.625  1.0
  Mg  Mg5  1  0.666  0.834  0.125  1.0
  Mg  Mg6  1  0.666  0.834  0.625  1.0
  Mg  Mg7  1  0.331  0.169  0.377  1.0
  Mg  Mg8  1  0.331  0.169  0.873  1.0
  Mg  Mg9  1  0.331  0.662  0.377  1.0
  Mg  Mg10  1  0.331  0.662  0.873  1.0
  Mg  Mg11  1  0.838  0.169  0.377  1.0
  Mg  Mg12  1  0.838  0.169  0.873  1.0
  Mg  Mg13  1  0.833  0.667  0.374  1.0
  Mg  Mg14  1  0.833  0.667  0.876  1.0
  Cr  Cr15  1  0.167  0.333  0.625  1.0
[/CIF]
.
The material structure described by LiMg14Cr crystallizes in the hexagonal P-6m2 space group. Li(1) is bonded to six Mg(1,1) and six Mg(3,3) atoms to form LiMg12 cuboctahedra that share corners with six equivalent Li(1)Mg12 cuboctahedra; corners with twelve equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with six Mg(1,1)Li2Mg10 cuboctahedra; edges with twelve Mg(3,3)LiMg10Cr cuboctahedra; faces with two equivalent Cr(1)Mg12 cuboctahedra; faces with six Mg(1,1)Li2Mg10 cuboctahedra; faces with six Mg(3,3)LiMg10Cr cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. There are six inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent Li(1); two equivalent Mg(4); four Mg(1,1); and four Mg(3,3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Cr(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with four Mg(1,1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)LiMg10Cr cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with four Mg(1,1)Li2Mg10 cuboctahedra; and faces with ten Mg(3,3)LiMg10Cr cuboctahedra. In the second Mg site, Mg(2) is bonded to two equivalent Mg(4); four equivalent Mg(2); four Mg(3,3); and two equivalent Cr(1) atoms to form MgMg10Cr2 cuboctahedra that share corners with four equivalent Li(1)Mg12 cuboctahedra; corners with six equivalent Mg(2)Mg10Cr2 cuboctahedra; corners with eight Mg(1,1)Li2Mg10 cuboctahedra; edges with two equivalent Cr(1)Mg12 cuboctahedra; edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight Mg(3,3)LiMg10Cr cuboctahedra; faces with two equivalent Mg(1)Li2Mg10 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with two equivalent Cr(1)Mg12 cuboctahedra; faces with four equivalent Mg(2)Mg10Cr2 cuboctahedra; and faces with ten Mg(3,3)LiMg10Cr cuboctahedra. In the third Mg site, Mg(1) is bonded to two equivalent Li(1), two equivalent Mg(4), four equivalent Mg(1), and four equivalent Mg(3) atoms to form MgLi2Mg10 cuboctahedra that share corners with four equivalent Cr(1)Mg12 cuboctahedra; corners with six equivalent Mg(1)Li2Mg10 cuboctahedra; corners with eight equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(4)Mg12 cuboctahedra; edges with eight equivalent Mg(3)LiMg10Cr cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with two equivalent Mg(2)Mg10Cr2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with four equivalent Mg(1)Li2Mg10 cuboctahedra; and faces with ten Mg(3,3)LiMg10Cr cuboctahedra. In the fourth Mg site, Mg(3) is bonded to one Li(1); two Mg(1,1); two equivalent Mg(2); two equivalent Mg(4); four Mg(3,3); and one Cr(1) atom to form distorted MgLiMg10Cr cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)LiMg10Cr cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Cr(1)Mg12 cuboctahedra; edges with four Mg(1,1)Li2Mg10 cuboctahedra; edges with four Mg(3,3)LiMg10Cr cuboctahedra; edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra;  a faceface with one Li(1)Mg12 cuboctahedra;  a faceface with one Cr(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(1,1)Li2Mg10 cuboctahedra; faces with five equivalent Mg(2)Mg10Cr2 cuboctahedra; and faces with six Mg(3,3)LiMg10Cr cuboctahedra. In the fifth Mg site, Mg(3) is bonded to one Li(1), two equivalent Mg(1), two equivalent Mg(2), two equivalent Mg(4), four equivalent Mg(3), and one Cr(1) atom to form distorted MgLiMg10Cr cuboctahedra that share corners with four equivalent Mg(4)Mg12 cuboctahedra; corners with fourteen Mg(3,3)LiMg10Cr cuboctahedra; edges with two equivalent Li(1)Mg12 cuboctahedra; edges with two equivalent Mg(4)Mg12 cuboctahedra; edges with two equivalent Cr(1)Mg12 cuboctahedra; edges with four equivalent Mg(1)Li2Mg10 cuboctahedra; edges with four equivalent Mg(3)LiMg10Cr cuboctahedra; edges with four equivalent Mg(2)Mg10Cr2 cuboctahedra;  a faceface with one Li(1)Mg12 cuboctahedra;  a faceface with one Cr(1)Mg12 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with five Mg(1,1)Li2Mg10 cuboctahedra; faces with five equivalent Mg(2)Mg10Cr2 cuboctahedra; and faces with six Mg(3,3)LiMg10Cr cuboctahedra. In the sixth Mg site, Mg(4) is bonded to three Mg(1,1); three equivalent Mg(2); and six Mg(3,3) atoms to form MgMg12 cuboctahedra that share corners with six equivalent Mg(4)Mg12 cuboctahedra; corners with twelve Mg(3,3)LiMg10Cr cuboctahedra; edges with six Mg(1,1)Li2Mg10 cuboctahedra; edges with six Mg(3,3)LiMg10Cr cuboctahedra; edges with six equivalent Mg(2)Mg10Cr2 cuboctahedra; faces with two equivalent Mg(4)Mg12 cuboctahedra; faces with three equivalent Li(1)Mg12 cuboctahedra; faces with three Mg(1,1)Li2Mg10 cuboctahedra; faces with three equivalent Mg(2)Mg10Cr2 cuboctahedra; faces with three equivalent Cr(1)Mg12 cuboctahedra; and faces with six Mg(3,3)LiMg10Cr cuboctahedra. Cr(1) is bonded to six equivalent Mg(2) and six Mg(3,3) atoms to form CrMg12 cuboctahedra that share corners with six equivalent Cr(1)Mg12 cuboctahedra; corners with twelve Mg(1,1)Li2Mg10 cuboctahedra; edges with six equivalent Mg(2)Mg10Cr2 cuboctahedra; edges with twelve Mg(3,3)LiMg10Cr cuboctahedra; faces with two equivalent Li(1)Mg12 cuboctahedra; faces with six Mg(3,3)LiMg10Cr cuboctahedra; faces with six equivalent Mg(2)Mg10Cr2 cuboctahedra; and faces with six equivalent Mg(4)Mg12 cuboctahedra. is represented by the Crystallographic Information File (CIF) [CIF]
data_LiMg14Cr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.356
_cell_length_b   6.356
_cell_length_c   10.065
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   120.000
_symmetry_Int_Tables_number   1
_cell_volume   352.108
_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
  Li  Li0  1  0.167  0.333  0.125  1.0
  Mg  Mg1  1  0.168  0.834  0.125  1.0
  Mg  Mg2  1  0.168  0.834  0.625  1.0
  Mg  Mg3  1  0.666  0.332  0.125  1.0
  Mg  Mg4  1  0.666  0.332  0.625  1.0
  Mg  Mg5  1  0.666  0.834  0.125  1.0
  Mg  Mg6  1  0.666  0.834  0.625  1.0
  Mg  Mg7  1  0.331  0.169  0.377  1.0
  Mg  Mg8  1  0.331  0.169  0.873  1.0
  Mg  Mg9  1  0.331  0.662  0.377  1.0
  Mg  Mg10  1  0.331  0.662  0.873  1.0
  Mg  Mg11  1  0.838  0.169  0.377  1.0
  Mg  Mg12  1  0.838  0.169  0.873  1.0
  Mg  Mg13  1  0.833  0.667  0.374  1.0
  Mg  Mg14  1  0.833  0.667  0.876  1.0
  Cr  Cr15  1  0.167  0.333  0.625  1.0
[/CIF]
.