SrLiAl3N4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1), one N(3), one N(6), and one N(8) atom to form distorted LiN4 trigonal pyramids that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra, corners with two equivalent Al(3)N4 tetrahedra, corners with three equivalent Al(4)N4 trigonal pyramids,  an edgeedge with one Al(1)N4 tetrahedra, and  an edgeedge with one Al(6)N4 tetrahedra. In the second Li site, Li(2) is bonded to one N(2), one N(4), one N(5), and one N(7) atom to form distorted LiN4 trigonal pyramids that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra, corners with two equivalent Al(6)N4 tetrahedra, corners with three equivalent Al(5)N4 tetrahedra,  a cornercorner with one Al(4)N4 trigonal pyramid,  an edgeedge with one Al(2)N4 tetrahedra, and  an edgeedge with one Al(3)N4 tetrahedra. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted body-centered cubic geometry to one N(3), one N(4), one N(6), one N(8), two equivalent N(1), and two equivalent N(5) atoms. In the second Sr site, Sr(2) is bonded in a distorted body-centered cubic geometry to one N(3), one N(4), one N(6), one N(8), two equivalent N(2), and two equivalent N(7) atoms. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one N(3), one N(5), and two equivalent N(1) atoms to form AlN4 tetrahedra that share  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(6)N4 tetrahedra, corners with three equivalent Al(3)N4 tetrahedra,  a cornercorner with one Li(1)N4 trigonal pyramid,  a cornercorner with one Li(2)N4 trigonal pyramid,  a cornercorner with one Al(4)N4 trigonal pyramid,  an edgeedge with one Al(1)N4 tetrahedra, and  an edgeedge with one Li(1)N4 trigonal pyramid. In the second Al site, Al(2) is bonded to one N(3), one N(7), and two equivalent N(4) atoms to form AlN4 tetrahedra that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra, corners with three equivalent Al(6)N4 tetrahedra,  a cornercorner with one Li(1)N4 trigonal pyramid,  a cornercorner with one Li(2)N4 trigonal pyramid,  an edgeedge with one Al(2)N4 tetrahedra, and  an edgeedge with one Li(2)N4 trigonal pyramid. In the third Al site, Al(3) is bonded to one N(1), one N(5), one N(6), and one N(7) atom to form AlN4 tetrahedra that share  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra, corners with three equivalent Al(1)N4 tetrahedra,  a cornercorner with one Al(4)N4 trigonal pyramid, corners with two equivalent Li(1)N4 trigonal pyramids,  an edgeedge with one Li(2)N4 trigonal pyramid, and  an edgeedge with one Al(4)N4 trigonal pyramid. In the fourth Al site, Al(4) is bonded to one N(5), one N(8), and two equivalent N(6) atoms to form AlN4 trigonal pyramids that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra,  a cornercorner with one Al(6)N4 tetrahedra,  a cornercorner with one Li(2)N4 trigonal pyramid, corners with three equivalent Li(1)N4 trigonal pyramids,  an edgeedge with one Al(3)N4 tetrahedra, and  an edgeedge with one Al(4)N4 trigonal pyramid. In the fifth Al site, Al(5) is bonded to one N(7), one N(8), and two equivalent N(2) atoms to form AlN4 tetrahedra that share  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Al(6)N4 tetrahedra,  a cornercorner with one Li(1)N4 trigonal pyramid,  a cornercorner with one Al(4)N4 trigonal pyramid, corners with three equivalent Li(2)N4 trigonal pyramids,  an edgeedge with one Al(5)N4 tetrahedra, and  an edgeedge with one Al(6)N4 tetrahedra. In the sixth Al site, Al(6) is bonded to one N(2), one N(3), one N(4), and one N(8) atom to form AlN4 tetrahedra that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra, corners with three equivalent Al(2)N4 tetrahedra,  a cornercorner with one Al(4)N4 trigonal pyramid, corners with two equivalent Li(2)N4 trigonal pyramids,  an edgeedge with one Al(5)N4 tetrahedra, and  an edgeedge with one Li(1)N4 trigonal pyramid. There are eight inequivalent N sites. In the first N site, N(7) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Sr(2), one Al(2), one Al(3), and one Al(5) atom. In the second N site, N(8) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Al(4), one Al(5), and one Al(6) atom. In the third N site, N(1) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), one Al(3), and two equivalent Al(1) atoms. In the fourth N site, N(2) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Sr(2), one Al(6), and two equivalent Al(5) atoms. In the fifth N site, N(3) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Al(1), one Al(2), and one Al(6) atom. In the sixth N site, N(4) is bonded in a 6-coordinate geometry to one Li(2), one Sr(1), one Sr(2), one Al(6), and two equivalent Al(2) atoms. In the seventh N site, N(5) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Sr(1), one Al(1), one Al(3), and one Al(4) atom. In the eighth N site, N(6) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Al(3), and two equivalent Al(4) atoms.
SrLiAl3N4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one N(1), one N(3), one N(6), and one N(8) atom to form distorted LiN4 trigonal pyramids that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra, corners with two equivalent Al(3)N4 tetrahedra, corners with three equivalent Al(4)N4 trigonal pyramids,  an edgeedge with one Al(1)N4 tetrahedra, and  an edgeedge with one Al(6)N4 tetrahedra. The Li(1)-N(1) bond length is 2.12 Å. The Li(1)-N(3) bond length is 2.37 Å. The Li(1)-N(6) bond length is 2.00 Å. The Li(1)-N(8) bond length is 2.09 Å. In the second Li site, Li(2) is bonded to one N(2), one N(4), one N(5), and one N(7) atom to form distorted LiN4 trigonal pyramids that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(2)N4 tetrahedra, corners with two equivalent Al(6)N4 tetrahedra, corners with three equivalent Al(5)N4 tetrahedra,  a cornercorner with one Al(4)N4 trigonal pyramid,  an edgeedge with one Al(2)N4 tetrahedra, and  an edgeedge with one Al(3)N4 tetrahedra. The Li(2)-N(2) bond length is 2.02 Å. The Li(2)-N(4) bond length is 2.11 Å. The Li(2)-N(5) bond length is 2.10 Å. The Li(2)-N(7) bond length is 2.36 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a distorted body-centered cubic geometry to one N(3), one N(4), one N(6), one N(8), two equivalent N(1), and two equivalent N(5) atoms. The Sr(1)-N(3) bond length is 2.96 Å. The Sr(1)-N(4) bond length is 2.77 Å. The Sr(1)-N(6) bond length is 2.86 Å. The Sr(1)-N(8) bond length is 2.76 Å. There is one shorter (2.68 Å) and one longer (2.86 Å) Sr(1)-N(1) bond length. There is one shorter (2.68 Å) and one longer (2.89 Å) Sr(1)-N(5) bond length. In the second Sr site, Sr(2) is bonded in a distorted body-centered cubic geometry to one N(3), one N(4), one N(6), one N(8), two equivalent N(2), and two equivalent N(7) atoms. The Sr(2)-N(3) bond length is 2.88 Å. The Sr(2)-N(4) bond length is 2.70 Å. The Sr(2)-N(6) bond length is 2.81 Å. The Sr(2)-N(8) bond length is 2.74 Å. There is one shorter (2.66 Å) and one longer (2.91 Å) Sr(2)-N(2) bond length. There is one shorter (2.78 Å) and one longer (3.01 Å) Sr(2)-N(7) bond length. There are six inequivalent Al sites. In the first Al site, Al(1) is bonded to one N(3), one N(5), and two equivalent N(1) atoms to form AlN4 tetrahedra that share  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(6)N4 tetrahedra, corners with three equivalent Al(3)N4 tetrahedra,  a cornercorner with one Li(1)N4 trigonal pyramid,  a cornercorner with one Li(2)N4 trigonal pyramid,  a cornercorner with one Al(4)N4 trigonal pyramid,  an edgeedge with one Al(1)N4 tetrahedra, and  an edgeedge with one Li(1)N4 trigonal pyramid. The Al(1)-N(3) bond length is 1.91 Å. The Al(1)-N(5) bond length is 1.88 Å. There is one shorter (1.92 Å) and one longer (1.97 Å) Al(1)-N(1) bond length. In the second Al site, Al(2) is bonded to one N(3), one N(7), and two equivalent N(4) atoms to form AlN4 tetrahedra that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra, corners with three equivalent Al(6)N4 tetrahedra,  a cornercorner with one Li(1)N4 trigonal pyramid,  a cornercorner with one Li(2)N4 trigonal pyramid,  an edgeedge with one Al(2)N4 tetrahedra, and  an edgeedge with one Li(2)N4 trigonal pyramid. The Al(2)-N(3) bond length is 1.90 Å. The Al(2)-N(7) bond length is 1.90 Å. There is one shorter (1.91 Å) and one longer (1.97 Å) Al(2)-N(4) bond length. In the third Al site, Al(3) is bonded to one N(1), one N(5), one N(6), and one N(7) atom to form AlN4 tetrahedra that share  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra, corners with three equivalent Al(1)N4 tetrahedra,  a cornercorner with one Al(4)N4 trigonal pyramid, corners with two equivalent Li(1)N4 trigonal pyramids,  an edgeedge with one Li(2)N4 trigonal pyramid, and  an edgeedge with one Al(4)N4 trigonal pyramid. The Al(3)-N(1) bond length is 1.89 Å. The Al(3)-N(5) bond length is 1.98 Å. The Al(3)-N(6) bond length is 1.91 Å. The Al(3)-N(7) bond length is 1.90 Å. In the fourth Al site, Al(4) is bonded to one N(5), one N(8), and two equivalent N(6) atoms to form AlN4 trigonal pyramids that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra,  a cornercorner with one Al(6)N4 tetrahedra,  a cornercorner with one Li(2)N4 trigonal pyramid, corners with three equivalent Li(1)N4 trigonal pyramids,  an edgeedge with one Al(3)N4 tetrahedra, and  an edgeedge with one Al(4)N4 trigonal pyramid. The Al(4)-N(5) bond length is 1.91 Å. The Al(4)-N(8) bond length is 1.87 Å. There is one shorter (1.91 Å) and one longer (1.97 Å) Al(4)-N(6) bond length. In the fifth Al site, Al(5) is bonded to one N(7), one N(8), and two equivalent N(2) atoms to form AlN4 tetrahedra that share  a cornercorner with one Al(2)N4 tetrahedra,  a cornercorner with one Al(3)N4 tetrahedra,  a cornercorner with one Al(6)N4 tetrahedra,  a cornercorner with one Li(1)N4 trigonal pyramid,  a cornercorner with one Al(4)N4 trigonal pyramid, corners with three equivalent Li(2)N4 trigonal pyramids,  an edgeedge with one Al(5)N4 tetrahedra, and  an edgeedge with one Al(6)N4 tetrahedra. The Al(5)-N(7) bond length is 1.88 Å. The Al(5)-N(8) bond length is 1.90 Å. There is one shorter (1.89 Å) and one longer (1.98 Å) Al(5)-N(2) bond length. In the sixth Al site, Al(6) is bonded to one N(2), one N(3), one N(4), and one N(8) atom to form AlN4 tetrahedra that share  a cornercorner with one Al(1)N4 tetrahedra,  a cornercorner with one Al(5)N4 tetrahedra, corners with three equivalent Al(2)N4 tetrahedra,  a cornercorner with one Al(4)N4 trigonal pyramid, corners with two equivalent Li(2)N4 trigonal pyramids,  an edgeedge with one Al(5)N4 tetrahedra, and  an edgeedge with one Li(1)N4 trigonal pyramid. The Al(6)-N(2) bond length is 1.90 Å. The Al(6)-N(3) bond length is 1.90 Å. The Al(6)-N(4) bond length is 1.90 Å. The Al(6)-N(8) bond length is 1.98 Å. There are eight inequivalent N sites. In the first N site, N(7) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Sr(2), one Al(2), one Al(3), and one Al(5) atom. In the second N site, N(8) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Al(4), one Al(5), and one Al(6) atom. In the third N site, N(1) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Sr(1), one Al(3), and two equivalent Al(1) atoms. In the fourth N site, N(2) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Sr(2), one Al(6), and two equivalent Al(5) atoms. In the fifth N site, N(3) is bonded in a 6-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Al(1), one Al(2), and one Al(6) atom. In the sixth N site, N(4) is bonded in a 6-coordinate geometry to one Li(2), one Sr(1), one Sr(2), one Al(6), and two equivalent Al(2) atoms. In the seventh N site, N(5) is bonded in a 6-coordinate geometry to one Li(2), two equivalent Sr(1), one Al(1), one Al(3), and one Al(4) atom. In the eighth N site, N(6) is bonded in a 4-coordinate geometry to one Li(1), one Sr(1), one Sr(2), one Al(3), and two equivalent Al(4) atoms.