The material structure described by Li11(MoO2)12 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, edges with two equivalent Mo(5)O6 octahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(12), one O(2), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the sixth Li site, Li(6) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the seventh Li site, Li(7) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(5), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(3), one O(8), and two equivalent O(6) atoms to form MoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the third Mo site, Mo(3) is bonded to one O(12), one O(4), one O(5), one O(9), and two equivalent O(2) atoms to form MoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(11), one O(12), one O(4), and two equivalent O(7) atoms to form MoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the fifth Mo site, Mo(5) is bonded to one O(11), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the sixth Mo site, Mo(6) is bonded to one O(3), one O(5), one O(8), one O(9), and two equivalent O(10) atoms to form MoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(5), one Mo(1), one Mo(2), and one Mo(4) atom to form OLi2Mo3 square pyramids that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra, corners with two equivalent O(12)Li2Mo3 square pyramids, corners with three equivalent O(6)Li2Mo3 square pyramids,  an edgeedge with one O(10)Li3Mo3 octahedra,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, and edges with two equivalent O(7)Li3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Li(7), one Mo(5), and two equivalent Mo(3) atoms to form OLi3Mo3 octahedra that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra,  a cornercorner with one O(1)Li2Mo3 square pyramid,  a cornercorner with one O(6)Li2Mo3 square pyramid,  an edgeedge with one O(10)Li3Mo3 octahedra,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(2)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra, edges with two equivalent O(5)Li3Mo3 octahedra, edges with two equivalent O(8)Li3Mo3 octahedra, edges with two equivalent O(9)Li3Mo3 octahedra, and edges with two equivalent O(12)Li2Mo3 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(6), one Li(7), one Mo(1), one Mo(2), and one Mo(6) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra,  a cornercorner with one O(1)Li2Mo3 square pyramid,  a cornercorner with one O(6)Li2Mo3 square pyramid,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, edges with two equivalent O(10)Li3Mo3 octahedra, edges with two equivalent O(11)Li3Mo3 octahedra, edges with two equivalent O(7)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid, and  an edgeedge with one O(6)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(7), one Mo(1), one Mo(3), and one Mo(4) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra,  a cornercorner with one O(1)Li2Mo3 square pyramid,  a cornercorner with one O(6)Li2Mo3 square pyramid,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(2)Li3Mo3 octahedra,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra, edges with two equivalent O(10)Li3Mo3 octahedra, edges with two equivalent O(7)Li3Mo3 octahedra, edges with two equivalent O(9)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid, and  an edgeedge with one O(12)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(7), one Mo(1), one Mo(3), and one Mo(6) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra,  a cornercorner with one O(1)Li2Mo3 square pyramid,  a cornercorner with one O(6)Li2Mo3 square pyramid,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(7)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, edges with two equivalent O(10)Li3Mo3 octahedra, edges with two equivalent O(2)Li3Mo3 octahedra, edges with two equivalent O(8)Li3Mo3 octahedra, and  an edgeedge with one O(12)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Mo(5), and two equivalent Mo(2) atoms to form OLi2Mo3 square pyramids that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra, corners with two equivalent O(12)Li2Mo3 square pyramids, corners with three equivalent O(1)Li2Mo3 square pyramids,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(7)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, edges with two equivalent O(11)Li3Mo3 octahedra, edges with two equivalent O(8)Li3Mo3 octahedra, and  an edgeedge with one O(6)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 3-7°. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(6), one Mo(1), and two equivalent Mo(4) atoms to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(7)Li3Mo3 octahedra, edges with two equivalent O(11)Li3Mo3 octahedra, edges with two equivalent O(3)Li3Mo3 octahedra, edges with two equivalent O(4)Li3Mo3 octahedra,  an edgeedge with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(6)Li2Mo3 square pyramid, and edges with two equivalent O(1)Li2Mo3 square pyramids. The corner-sharing octahedral tilt angles range from 0-8°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(5), one Mo(2), one Mo(5), and one Mo(6) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(10)Li3Mo3 octahedra,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, edges with two equivalent O(2)Li3Mo3 octahedra, edges with two equivalent O(5)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid,  an edgeedge with one O(12)Li2Mo3 square pyramid, and edges with two equivalent O(6)Li2Mo3 square pyramids. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Mo(3), one Mo(5), and one Mo(6) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra, edges with two equivalent O(10)Li3Mo3 octahedra, edges with two equivalent O(2)Li3Mo3 octahedra, edges with two equivalent O(4)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid,  an edgeedge with one O(12)Li2Mo3 square pyramid, and  an edgeedge with one O(6)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-10°. In the tenth O site, O(10) is bonded to one Li(3), one Li(5), one Li(7), one Mo(1), and two equivalent Mo(6) atoms to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(10)Li3Mo3 octahedra,  an edgeedge with one O(2)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra, edges with two equivalent O(3)Li3Mo3 octahedra, edges with two equivalent O(4)Li3Mo3 octahedra, edges with two equivalent O(5)Li3Mo3 octahedra, edges with two equivalent O(9)Li3Mo3 octahedra, and  an edgeedge with one O(1)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-3°. In the eleventh O site, O(11) is bonded to one Li(4), one Li(6), one Li(7), one Mo(2), one Mo(4), and one Mo(5) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(2)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra, edges with two equivalent O(3)Li3Mo3 octahedra, edges with two equivalent O(7)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid,  an edgeedge with one O(12)Li2Mo3 square pyramid, and edges with two equivalent O(6)Li2Mo3 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the twelfth O site, O(12) is bonded to one Li(4), one Li(5), one Mo(3), one Mo(4), and one Mo(5) atom to form OLi2Mo3 square pyramids that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra, corners with two equivalent O(1)Li2Mo3 square pyramids, corners with two equivalent O(6)Li2Mo3 square pyramids,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(7)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, and edges with two equivalent O(2)Li3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li11(MoO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   8.292
_cell_length_c   9.352
_cell_angle_alpha   102.009
_cell_angle_beta   96.151
_cell_angle_gamma   92.775
_symmetry_Int_Tables_number   1
_cell_volume   529.521
_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  0.835  0.325  0.160  1.0
  Li  Li1  1  0.165  0.675  0.840  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.000  0.500  0.500  1.0
  Li  Li4  1  0.321  0.833  0.155  1.0
  Li  Li5  1  0.679  0.167  0.845  1.0
  Li  Li6  1  0.836  0.847  0.682  1.0
  Li  Li7  1  0.164  0.153  0.318  1.0
  Li  Li8  1  0.500  0.500  0.000  1.0
  Li  Li9  1  0.330  0.327  0.671  1.0
  Li  Li10  1  0.670  0.673  0.329  1.0
  Mo  Mo11  1  0.247  0.504  0.250  1.0
  Mo  Mo12  1  0.592  0.834  0.916  1.0
  Mo  Mo13  1  0.916  0.167  0.580  1.0
  Mo  Mo14  1  0.753  0.496  0.750  1.0
  Mo  Mo15  1  0.084  0.833  0.420  1.0
  Mo  Mo16  1  0.408  0.166  0.084  1.0
  Mo  Mo17  1  0.920  0.671  0.083  1.0
  Mo  Mo18  1  0.250  0.995  0.751  1.0
  Mo  Mo19  1  0.577  0.341  0.419  1.0
  Mo  Mo20  1  0.080  0.329  0.917  1.0
  Mo  Mo21  1  0.423  0.659  0.581  1.0
  Mo  Mo22  1  0.750  0.005  0.249  1.0
  O  O23  1  0.867  0.734  0.869  1.0
  O  O24  1  0.197  0.077  0.543  1.0
  O  O25  1  0.525  0.413  0.209  1.0
  O  O26  1  0.031  0.407  0.707  1.0
  O  O27  1  0.368  0.746  0.379  1.0
  O  O28  1  0.684  0.084  0.043  1.0
  O  O29  1  0.133  0.266  0.131  1.0
  O  O30  1  0.475  0.587  0.791  1.0
  O  O31  1  0.803  0.923  0.457  1.0
  O  O32  1  0.969  0.593  0.293  1.0
  O  O33  1  0.316  0.916  0.957  1.0
  O  O34  1  0.632  0.254  0.621  1.0
  O  O35  1  0.198  0.577  0.041  1.0
  O  O36  1  0.531  0.898  0.702  1.0
  O  O37  1  0.848  0.255  0.375  1.0
  O  O38  1  0.802  0.423  0.959  1.0
  O  O39  1  0.152  0.745  0.625  1.0
  O  O40  1  0.469  0.102  0.298  1.0
  O  O41  1  0.298  0.422  0.461  1.0
  O  O42  1  0.642  0.760  0.127  1.0
  O  O43  1  0.970  0.088  0.782  1.0
  O  O44  1  0.702  0.578  0.539  1.0
  O  O45  1  0.030  0.912  0.218  1.0
  O  O46  1  0.358  0.240  0.873  1.0
[/CIF]
.
The material structure described by Li11(MoO2)12 crystallizes in the triclinic P-1 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(3), one O(4), one O(6), one O(7), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-12°. In the second Li site, Li(2) is bonded to two equivalent O(2), two equivalent O(5), and two equivalent O(8) atoms to form LiO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, edges with two equivalent Mo(5)O6 octahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-9°. In the third Li site, Li(3) is bonded to two equivalent O(10), two equivalent O(4), and two equivalent O(9) atoms to form LiO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(3)O6 octahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the fourth Li site, Li(4) is bonded to one O(11), one O(12), one O(5), one O(6), one O(7), and one O(8) atom to form LiO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and edges with two equivalent Mo(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-11°. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(12), one O(2), one O(8), and one O(9) atom to form LiO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(6)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the sixth Li site, Li(6) is bonded to two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms to form LiO6 octahedra that share corners with two equivalent Mo(4)O6 octahedra, corners with two equivalent Mo(5)O6 octahedra, corners with two equivalent Mo(6)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, edges with two equivalent Mo(1)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-6°. In the seventh Li site, Li(7) is bonded to one O(10), one O(11), one O(2), one O(3), one O(4), and one O(5) atom to form LiO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Mo(2)O6 octahedra, corners with two equivalent Mo(3)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-5°. There are six inequivalent Mo sites. In the first Mo site, Mo(1) is bonded to one O(1), one O(10), one O(3), one O(4), one O(5), and one O(7) atom to form MoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra, edges with two equivalent Mo(4)O6 octahedra, and edges with two equivalent Mo(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-6°. In the second Mo site, Mo(2) is bonded to one O(1), one O(11), one O(3), one O(8), and two equivalent O(6) atoms to form MoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, edges with two equivalent Li(4)O6 octahedra, and edges with two equivalent Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-12°. In the third Mo site, Mo(3) is bonded to one O(12), one O(4), one O(5), one O(9), and two equivalent O(2) atoms to form MoO6 octahedra that share  a cornercorner with one Li(2)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(7)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(1)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, edges with two equivalent Li(5)O6 octahedra, and edges with two equivalent Mo(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 2-11°. In the fourth Mo site, Mo(4) is bonded to one O(1), one O(11), one O(12), one O(4), and two equivalent O(7) atoms to form MoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(6)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-12°. In the fifth Mo site, Mo(5) is bonded to one O(11), one O(12), one O(2), one O(6), one O(8), and one O(9) atom to form MoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(4)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Li(7)O6 octahedra,  an edgeedge with one Mo(4)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, edges with two equivalent Mo(2)O6 octahedra, and edges with two equivalent Mo(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the sixth Mo site, Mo(6) is bonded to one O(3), one O(5), one O(8), one O(9), and two equivalent O(10) atoms to form MoO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra,  a cornercorner with one Li(6)O6 octahedra, corners with two equivalent Li(4)O6 octahedra, corners with two equivalent Li(5)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra,  an edgeedge with one Li(5)O6 octahedra,  an edgeedge with one Mo(2)O6 octahedra,  an edgeedge with one Mo(3)O6 octahedra,  an edgeedge with one Mo(5)O6 octahedra,  an edgeedge with one Mo(6)O6 octahedra, edges with two equivalent Li(7)O6 octahedra, and edges with two equivalent Mo(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-6°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(5), one Mo(1), one Mo(2), and one Mo(4) atom to form OLi2Mo3 square pyramids that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra, corners with two equivalent O(12)Li2Mo3 square pyramids, corners with three equivalent O(6)Li2Mo3 square pyramids,  an edgeedge with one O(10)Li3Mo3 octahedra,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, and edges with two equivalent O(7)Li3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 2-10°. In the second O site, O(2) is bonded to one Li(2), one Li(5), one Li(7), one Mo(5), and two equivalent Mo(3) atoms to form OLi3Mo3 octahedra that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra,  a cornercorner with one O(1)Li2Mo3 square pyramid,  a cornercorner with one O(6)Li2Mo3 square pyramid,  an edgeedge with one O(10)Li3Mo3 octahedra,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(2)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra, edges with two equivalent O(5)Li3Mo3 octahedra, edges with two equivalent O(8)Li3Mo3 octahedra, edges with two equivalent O(9)Li3Mo3 octahedra, and edges with two equivalent O(12)Li2Mo3 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the third O site, O(3) is bonded to one Li(1), one Li(6), one Li(7), one Mo(1), one Mo(2), and one Mo(6) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra,  a cornercorner with one O(1)Li2Mo3 square pyramid,  a cornercorner with one O(6)Li2Mo3 square pyramid,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, edges with two equivalent O(10)Li3Mo3 octahedra, edges with two equivalent O(11)Li3Mo3 octahedra, edges with two equivalent O(7)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid, and  an edgeedge with one O(6)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Li(7), one Mo(1), one Mo(3), and one Mo(4) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra,  a cornercorner with one O(1)Li2Mo3 square pyramid,  a cornercorner with one O(6)Li2Mo3 square pyramid,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(2)Li3Mo3 octahedra,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra, edges with two equivalent O(10)Li3Mo3 octahedra, edges with two equivalent O(7)Li3Mo3 octahedra, edges with two equivalent O(9)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid, and  an edgeedge with one O(12)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Li(7), one Mo(1), one Mo(3), and one Mo(6) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra,  a cornercorner with one O(1)Li2Mo3 square pyramid,  a cornercorner with one O(6)Li2Mo3 square pyramid,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(7)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, edges with two equivalent O(10)Li3Mo3 octahedra, edges with two equivalent O(2)Li3Mo3 octahedra, edges with two equivalent O(8)Li3Mo3 octahedra, and  an edgeedge with one O(12)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-4°. In the sixth O site, O(6) is bonded to one Li(1), one Li(4), one Mo(5), and two equivalent Mo(2) atoms to form OLi2Mo3 square pyramids that share  a cornercorner with one O(2)Li3Mo3 octahedra,  a cornercorner with one O(3)Li3Mo3 octahedra,  a cornercorner with one O(4)Li3Mo3 octahedra,  a cornercorner with one O(5)Li3Mo3 octahedra, corners with two equivalent O(12)Li2Mo3 square pyramids, corners with three equivalent O(1)Li2Mo3 square pyramids,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(7)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, edges with two equivalent O(11)Li3Mo3 octahedra, edges with two equivalent O(8)Li3Mo3 octahedra, and  an edgeedge with one O(6)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 3-7°. In the seventh O site, O(7) is bonded to one Li(1), one Li(4), one Li(6), one Mo(1), and two equivalent Mo(4) atoms to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(7)Li3Mo3 octahedra, edges with two equivalent O(11)Li3Mo3 octahedra, edges with two equivalent O(3)Li3Mo3 octahedra, edges with two equivalent O(4)Li3Mo3 octahedra,  an edgeedge with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(6)Li2Mo3 square pyramid, and edges with two equivalent O(1)Li2Mo3 square pyramids. The corner-sharing octahedral tilt angles range from 0-8°. In the eighth O site, O(8) is bonded to one Li(2), one Li(4), one Li(5), one Mo(2), one Mo(5), and one Mo(6) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(10)Li3Mo3 octahedra,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, edges with two equivalent O(2)Li3Mo3 octahedra, edges with two equivalent O(5)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid,  an edgeedge with one O(12)Li2Mo3 square pyramid, and edges with two equivalent O(6)Li2Mo3 square pyramids. The corner-sharing octahedral tilt angles range from 0-10°. In the ninth O site, O(9) is bonded to one Li(1), one Li(3), one Li(5), one Mo(3), one Mo(5), and one Mo(6) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(3)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra, edges with two equivalent O(10)Li3Mo3 octahedra, edges with two equivalent O(2)Li3Mo3 octahedra, edges with two equivalent O(4)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid,  an edgeedge with one O(12)Li2Mo3 square pyramid, and  an edgeedge with one O(6)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-10°. In the tenth O site, O(10) is bonded to one Li(3), one Li(5), one Li(7), one Mo(1), and two equivalent Mo(6) atoms to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(10)Li3Mo3 octahedra,  an edgeedge with one O(2)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra, edges with two equivalent O(3)Li3Mo3 octahedra, edges with two equivalent O(4)Li3Mo3 octahedra, edges with two equivalent O(5)Li3Mo3 octahedra, edges with two equivalent O(9)Li3Mo3 octahedra, and  an edgeedge with one O(1)Li2Mo3 square pyramid. The corner-sharing octahedral tilt angles range from 0-3°. In the eleventh O site, O(11) is bonded to one Li(4), one Li(6), one Li(7), one Mo(2), one Mo(4), and one Mo(5) atom to form OLi3Mo3 octahedra that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra,  a cornercorner with one O(12)Li2Mo3 square pyramid,  an edgeedge with one O(2)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra, edges with two equivalent O(3)Li3Mo3 octahedra, edges with two equivalent O(7)Li3Mo3 octahedra,  an edgeedge with one O(1)Li2Mo3 square pyramid,  an edgeedge with one O(12)Li2Mo3 square pyramid, and edges with two equivalent O(6)Li2Mo3 square pyramids. The corner-sharing octahedral tilt angles range from 0-3°. In the twelfth O site, O(12) is bonded to one Li(4), one Li(5), one Mo(3), one Mo(4), and one Mo(5) atom to form OLi2Mo3 square pyramids that share  a cornercorner with one O(10)Li3Mo3 octahedra,  a cornercorner with one O(11)Li3Mo3 octahedra,  a cornercorner with one O(7)Li3Mo3 octahedra,  a cornercorner with one O(8)Li3Mo3 octahedra,  a cornercorner with one O(9)Li3Mo3 octahedra, corners with two equivalent O(1)Li2Mo3 square pyramids, corners with two equivalent O(6)Li2Mo3 square pyramids,  an edgeedge with one O(11)Li3Mo3 octahedra,  an edgeedge with one O(4)Li3Mo3 octahedra,  an edgeedge with one O(5)Li3Mo3 octahedra,  an edgeedge with one O(7)Li3Mo3 octahedra,  an edgeedge with one O(8)Li3Mo3 octahedra,  an edgeedge with one O(9)Li3Mo3 octahedra, and edges with two equivalent O(2)Li3Mo3 octahedra. The corner-sharing octahedral tilt angles range from 3-8°. is represented by the Crystallographic Information File (CIF) [CIF]
data_Li11(MoO2)12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.041
_cell_length_b   8.292
_cell_length_c   9.352
_cell_angle_alpha   102.009
_cell_angle_beta   96.151
_cell_angle_gamma   92.775
_symmetry_Int_Tables_number   1
_cell_volume   529.521
_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  0.835  0.325  0.160  1.0
  Li  Li1  1  0.165  0.675  0.840  1.0
  Li  Li2  1  0.500  0.000  0.500  1.0
  Li  Li3  1  0.000  0.500  0.500  1.0
  Li  Li4  1  0.321  0.833  0.155  1.0
  Li  Li5  1  0.679  0.167  0.845  1.0
  Li  Li6  1  0.836  0.847  0.682  1.0
  Li  Li7  1  0.164  0.153  0.318  1.0
  Li  Li8  1  0.500  0.500  0.000  1.0
  Li  Li9  1  0.330  0.327  0.671  1.0
  Li  Li10  1  0.670  0.673  0.329  1.0
  Mo  Mo11  1  0.247  0.504  0.250  1.0
  Mo  Mo12  1  0.592  0.834  0.916  1.0
  Mo  Mo13  1  0.916  0.167  0.580  1.0
  Mo  Mo14  1  0.753  0.496  0.750  1.0
  Mo  Mo15  1  0.084  0.833  0.420  1.0
  Mo  Mo16  1  0.408  0.166  0.084  1.0
  Mo  Mo17  1  0.920  0.671  0.083  1.0
  Mo  Mo18  1  0.250  0.995  0.751  1.0
  Mo  Mo19  1  0.577  0.341  0.419  1.0
  Mo  Mo20  1  0.080  0.329  0.917  1.0
  Mo  Mo21  1  0.423  0.659  0.581  1.0
  Mo  Mo22  1  0.750  0.005  0.249  1.0
  O  O23  1  0.867  0.734  0.869  1.0
  O  O24  1  0.197  0.077  0.543  1.0
  O  O25  1  0.525  0.413  0.209  1.0
  O  O26  1  0.031  0.407  0.707  1.0
  O  O27  1  0.368  0.746  0.379  1.0
  O  O28  1  0.684  0.084  0.043  1.0
  O  O29  1  0.133  0.266  0.131  1.0
  O  O30  1  0.475  0.587  0.791  1.0
  O  O31  1  0.803  0.923  0.457  1.0
  O  O32  1  0.969  0.593  0.293  1.0
  O  O33  1  0.316  0.916  0.957  1.0
  O  O34  1  0.632  0.254  0.621  1.0
  O  O35  1  0.198  0.577  0.041  1.0
  O  O36  1  0.531  0.898  0.702  1.0
  O  O37  1  0.848  0.255  0.375  1.0
  O  O38  1  0.802  0.423  0.959  1.0
  O  O39  1  0.152  0.745  0.625  1.0
  O  O40  1  0.469  0.102  0.298  1.0
  O  O41  1  0.298  0.422  0.461  1.0
  O  O42  1  0.642  0.760  0.127  1.0
  O  O43  1  0.970  0.088  0.782  1.0
  O  O44  1  0.702  0.578  0.539  1.0
  O  O45  1  0.030  0.912  0.218  1.0
  O  O46  1  0.358  0.240  0.873  1.0
[/CIF]
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