The compound described by LiMg14CO16 is Molybdenum Carbide MAX Phase-derived structured and crystallizes in the orthorhombic Pmmm space group. Li(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent C(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1); two equivalent O(6); and two O(9,9) atoms to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Mg(2)O6 octahedra; edges with four Mg(4,4)O6 octahedra; edges with four equivalent Mg(5)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2); two equivalent O(7); and two O(9,9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Mg(2)O6 octahedra; corners with two equivalent C(1)O6 octahedra; edges with four Mg(4,4)O6 octahedra; edges with four equivalent Mg(6)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra, corners with four equivalent Mg(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, edges with two equivalent C(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra; corners with four equivalent Mg(5)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; edges with two Mg(4,4)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra; corners with four equivalent Mg(6)O6 octahedra; edges with two equivalent Mg(2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; edges with two Mg(4,4)O6 octahedra; edges with two equivalent C(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one C(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. C(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form distorted CO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent C(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mg(1), two equivalent Mg(5), and two equivalent Mg(7) atoms to form OLiMg5 octahedra that share corners with two equivalent O(2)Mg5C octahedra; corners with four equivalent O(1)LiMg5 octahedra; edges with two equivalent O(4)Li2Mg4 octahedra; edges with two equivalent O(8)LiMg4C octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two O(9,9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one C(1) atom to form OMg5C octahedra that share corners with two equivalent O(1)LiMg5 octahedra; corners with four equivalent O(2)Mg5C octahedra; edges with two equivalent O(8)LiMg4C octahedra; edges with two equivalent O(5)Mg4C2 octahedra; edges with two equivalent O(7)Mg6 octahedra; edges with two O(9,9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Li2Mg4 octahedra,  an edgeedge with one O(5)Mg4C2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)LiMg4C octahedra, edges with two equivalent O(1)LiMg5 octahedra, edges with two equivalent O(2)Mg5C octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent Mg(3), and two equivalent Mg(5) atoms to form OLi2Mg4 octahedra that share corners with two equivalent O(4)Li2Mg4 octahedra, corners with two equivalent O(5)Mg4C2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)LiMg4C octahedra, edges with four equivalent O(1)LiMg5 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(3), two equivalent Mg(6), and two equivalent C(1) atoms to form distorted OMg4C2 octahedra that share corners with two equivalent O(4)Li2Mg4 octahedra, corners with two equivalent O(5)Mg4C2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)LiMg4C octahedra, edges with four equivalent O(2)Mg5C octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Mg(1); two Mg(4,4); and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Li2Mg4 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(1)LiMg5 octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four O(9,9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Mg(2); two Mg(4,4); and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4C2 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(2)Mg5C octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four O(9,9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Mg(3), two equivalent Mg(7), and one C(1) atom to form OLiMg4C octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)LiMg4C octahedra, edges with two equivalent O(4)Li2Mg4 octahedra, edges with two equivalent O(1)LiMg5 octahedra, edges with two equivalent O(5)Mg4C2 octahedra, edges with two equivalent O(2)Mg5C octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)LiMg4C octahedra; corners with four O(9,9)Mg6 octahedra; edges with two equivalent O(1)LiMg5 octahedra; edges with two equivalent O(2)Mg5C octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two equivalent O(7)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the tenth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)LiMg4C octahedra; corners with four O(9,9)Mg6 octahedra; edges with two equivalent O(1)LiMg5 octahedra; edges with two equivalent O(2)Mg5C octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two equivalent O(7)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF card [CIF]
data_LiMg14CO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.488
_cell_length_b   8.416
_cell_length_c   4.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.133
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.248  0.500  1.0
  Mg  Mg4  1  0.000  0.752  0.500  1.0
  Mg  Mg5  1  0.500  0.249  0.500  1.0
  Mg  Mg6  1  0.500  0.751  0.500  1.0
  Mg  Mg7  1  0.244  0.000  0.500  1.0
  Mg  Mg8  1  0.244  0.500  0.500  1.0
  Mg  Mg9  1  0.756  0.000  0.500  1.0
  Mg  Mg10  1  0.756  0.500  0.500  1.0
  Mg  Mg11  1  0.248  0.248  0.000  1.0
  Mg  Mg12  1  0.248  0.752  0.000  1.0
  Mg  Mg13  1  0.752  0.248  0.000  1.0
  Mg  Mg14  1  0.752  0.752  0.000  1.0
  C  C15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.252  0.000  0.000  1.0
  O  O17  1  0.239  0.500  0.000  1.0
  O  O18  1  0.748  0.000  0.000  1.0
  O  O19  1  0.761  0.500  0.000  1.0
  O  O20  1  0.248  0.251  0.500  1.0
  O  O21  1  0.248  0.749  0.500  1.0
  O  O22  1  0.752  0.251  0.500  1.0
  O  O23  1  0.752  0.749  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.500  1.0
  O  O26  1  0.500  0.000  0.500  1.0
  O  O27  1  0.500  0.500  0.500  1.0
  O  O28  1  0.000  0.285  0.000  1.0
  O  O29  1  0.000  0.715  0.000  1.0
  O  O30  1  0.500  0.255  0.000  1.0
  O  O31  1  0.500  0.745  0.000  1.0
[/CIF]
.
The compound described by LiMg14CO16 is Molybdenum Carbide MAX Phase-derived structured and crystallizes in the orthorhombic Pmmm space group. Li(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent C(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(5)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are eight inequivalent Mg sites. In the first Mg site, Mg(1) is bonded to two equivalent O(1); two equivalent O(6); and two O(9,9) atoms to form MgO6 octahedra that share corners with two equivalent Li(1)O6 octahedra; corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Mg(2)O6 octahedra; edges with four Mg(4,4)O6 octahedra; edges with four equivalent Mg(5)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the second Mg site, Mg(2) is bonded to two equivalent O(2); two equivalent O(7); and two O(9,9) atoms to form MgO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra; corners with two equivalent Mg(2)O6 octahedra; corners with two equivalent C(1)O6 octahedra; edges with four Mg(4,4)O6 octahedra; edges with four equivalent Mg(6)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. In the third Mg site, Mg(3) is bonded to one O(4), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form MgO6 octahedra that share corners with two equivalent Mg(4)O6 octahedra, corners with four equivalent Mg(3)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, edges with two equivalent Mg(6)O6 octahedra, edges with two equivalent C(1)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fourth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the fifth Mg site, Mg(4) is bonded to one O(6), one O(7), two equivalent O(3), and two equivalent O(9) atoms to form a mixture of corner and edge-sharing MgO6 octahedra. The corner-sharing octahedral tilt angles range from 0-3°. In the sixth Mg site, Mg(5) is bonded to one O(4), one O(6), two equivalent O(1), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(6)O6 octahedra; corners with four equivalent Mg(5)O6 octahedra; edges with two equivalent Li(1)O6 octahedra; edges with two equivalent Mg(1)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; edges with two Mg(4,4)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the seventh Mg site, Mg(6) is bonded to one O(5), one O(7), two equivalent O(2), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with two equivalent Mg(5)O6 octahedra; corners with four equivalent Mg(6)O6 octahedra; edges with two equivalent Mg(2)O6 octahedra; edges with two equivalent Mg(3)O6 octahedra; edges with two Mg(4,4)O6 octahedra; edges with two equivalent C(1)O6 octahedra; and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the eighth Mg site, Mg(7) is bonded to one O(1), one O(2), one O(8), one O(9), and two equivalent O(3) atoms to form MgO6 octahedra that share corners with six equivalent Mg(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Mg(2)O6 octahedra,  an edgeedge with one C(1)O6 octahedra, edges with two equivalent Mg(3)O6 octahedra, edges with two equivalent Mg(4)O6 octahedra, edges with two equivalent Mg(5)O6 octahedra, and edges with two equivalent Mg(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-17°. C(1) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form distorted CO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Mg(2)O6 octahedra, corners with two equivalent C(1)O6 octahedra, edges with four equivalent Mg(3)O6 octahedra, edges with four equivalent Mg(6)O6 octahedra, and edges with four equivalent Mg(7)O6 octahedra. The corner-sharing octahedra are not tilted. There are ten inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Mg(1), two equivalent Mg(5), and two equivalent Mg(7) atoms to form OLiMg5 octahedra that share corners with two equivalent O(2)Mg5C octahedra; corners with four equivalent O(1)LiMg5 octahedra; edges with two equivalent O(4)Li2Mg4 octahedra; edges with two equivalent O(8)LiMg4C octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two O(9,9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-4°. In the second O site, O(2) is bonded to one Mg(2), two equivalent Mg(6), two equivalent Mg(7), and one C(1) atom to form OMg5C octahedra that share corners with two equivalent O(1)LiMg5 octahedra; corners with four equivalent O(2)Mg5C octahedra; edges with two equivalent O(8)LiMg4C octahedra; edges with two equivalent O(5)Mg4C2 octahedra; edges with two equivalent O(7)Mg6 octahedra; edges with two O(9,9)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the third O site, O(3) is bonded to one Mg(3), one Mg(4), one Mg(5), one Mg(6), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with six equivalent O(3)Mg6 octahedra,  an edgeedge with one O(4)Li2Mg4 octahedra,  an edgeedge with one O(5)Mg4C2 octahedra,  an edgeedge with one O(6)Mg6 octahedra,  an edgeedge with one O(7)Mg6 octahedra, edges with two equivalent O(8)LiMg4C octahedra, edges with two equivalent O(1)LiMg5 octahedra, edges with two equivalent O(2)Mg5C octahedra, and edges with two equivalent O(9)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. In the fourth O site, O(4) is bonded to two equivalent Li(1), two equivalent Mg(3), and two equivalent Mg(5) atoms to form OLi2Mg4 octahedra that share corners with two equivalent O(4)Li2Mg4 octahedra, corners with two equivalent O(5)Mg4C2 octahedra, corners with two equivalent O(6)Mg6 octahedra, edges with four equivalent O(8)LiMg4C octahedra, edges with four equivalent O(1)LiMg5 octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the fifth O site, O(5) is bonded to two equivalent Mg(3), two equivalent Mg(6), and two equivalent C(1) atoms to form distorted OMg4C2 octahedra that share corners with two equivalent O(4)Li2Mg4 octahedra, corners with two equivalent O(5)Mg4C2 octahedra, corners with two equivalent O(7)Mg6 octahedra, edges with four equivalent O(8)LiMg4C octahedra, edges with four equivalent O(2)Mg5C octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the sixth O site, O(6) is bonded to two equivalent Mg(1); two Mg(4,4); and two equivalent Mg(5) atoms to form OMg6 octahedra that share corners with two equivalent O(4)Li2Mg4 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(1)LiMg5 octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four O(9,9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the seventh O site, O(7) is bonded to two equivalent Mg(2); two Mg(4,4); and two equivalent Mg(6) atoms to form OMg6 octahedra that share corners with two equivalent O(5)Mg4C2 octahedra; corners with two equivalent O(6)Mg6 octahedra; corners with two equivalent O(7)Mg6 octahedra; edges with four equivalent O(2)Mg5C octahedra; edges with four equivalent O(3)Mg6 octahedra; and edges with four O(9,9)Mg6 octahedra. The corner-sharing octahedra are not tilted. In the eighth O site, O(8) is bonded to one Li(1), two equivalent Mg(3), two equivalent Mg(7), and one C(1) atom to form OLiMg4C octahedra that share corners with two equivalent O(9)Mg6 octahedra, corners with four equivalent O(8)LiMg4C octahedra, edges with two equivalent O(4)Li2Mg4 octahedra, edges with two equivalent O(1)LiMg5 octahedra, edges with two equivalent O(5)Mg4C2 octahedra, edges with two equivalent O(2)Mg5C octahedra, and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the ninth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)LiMg4C octahedra; corners with four O(9,9)Mg6 octahedra; edges with two equivalent O(1)LiMg5 octahedra; edges with two equivalent O(2)Mg5C octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two equivalent O(7)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the tenth O site, O(9) is bonded to one Mg(1), one Mg(2), two equivalent Mg(4), and two equivalent Mg(7) atoms to form OMg6 octahedra that share corners with two equivalent O(8)LiMg4C octahedra; corners with four O(9,9)Mg6 octahedra; edges with two equivalent O(1)LiMg5 octahedra; edges with two equivalent O(2)Mg5C octahedra; edges with two equivalent O(6)Mg6 octahedra; edges with two equivalent O(7)Mg6 octahedra; and edges with four equivalent O(3)Mg6 octahedra. The corner-sharing octahedral tilt angles range from 0-10°. is represented by the CIF card [CIF]
data_LiMg14CO16
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.488
_cell_length_b   8.416
_cell_length_c   4.229
_cell_angle_alpha   90.000
_cell_angle_beta   90.000
_cell_angle_gamma   90.000
_symmetry_Int_Tables_number   1
_cell_volume   302.133
_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  0.000  0.000  0.000  1.0
  Mg  Mg1  1  0.500  0.000  0.000  1.0
  Mg  Mg2  1  0.500  0.500  0.000  1.0
  Mg  Mg3  1  0.000  0.248  0.500  1.0
  Mg  Mg4  1  0.000  0.752  0.500  1.0
  Mg  Mg5  1  0.500  0.249  0.500  1.0
  Mg  Mg6  1  0.500  0.751  0.500  1.0
  Mg  Mg7  1  0.244  0.000  0.500  1.0
  Mg  Mg8  1  0.244  0.500  0.500  1.0
  Mg  Mg9  1  0.756  0.000  0.500  1.0
  Mg  Mg10  1  0.756  0.500  0.500  1.0
  Mg  Mg11  1  0.248  0.248  0.000  1.0
  Mg  Mg12  1  0.248  0.752  0.000  1.0
  Mg  Mg13  1  0.752  0.248  0.000  1.0
  Mg  Mg14  1  0.752  0.752  0.000  1.0
  C  C15  1  0.000  0.500  0.000  1.0
  O  O16  1  0.252  0.000  0.000  1.0
  O  O17  1  0.239  0.500  0.000  1.0
  O  O18  1  0.748  0.000  0.000  1.0
  O  O19  1  0.761  0.500  0.000  1.0
  O  O20  1  0.248  0.251  0.500  1.0
  O  O21  1  0.248  0.749  0.500  1.0
  O  O22  1  0.752  0.251  0.500  1.0
  O  O23  1  0.752  0.749  0.500  1.0
  O  O24  1  0.000  0.000  0.500  1.0
  O  O25  1  0.000  0.500  0.500  1.0
  O  O26  1  0.500  0.000  0.500  1.0
  O  O27  1  0.500  0.500  0.500  1.0
  O  O28  1  0.000  0.285  0.000  1.0
  O  O29  1  0.000  0.715  0.000  1.0
  O  O30  1  0.500  0.255  0.000  1.0
  O  O31  1  0.500  0.745  0.000  1.0
[/CIF]
.