Li7Sr2CuN4 crystallizes in the orthorhombic Imm2 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one N(4) and two equivalent N(2) atoms. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one N(3) and two equivalent N(1) atoms. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(4) atoms. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(3) atoms. In the fifth Li site, Li(5) is bonded in a linear geometry to two equivalent N(1) atoms. In the sixth Li site, Li(6) is bonded in a linear geometry to two equivalent N(4) atoms. In the seventh Li site, Li(7) is bonded in a linear geometry to two equivalent N(3) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(4) atoms. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. Cu(1) is bonded in a linear geometry to two equivalent N(2) atoms. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(5), and two equivalent Sr(1) atoms to form a mixture of distorted edge and corner-sharing NSr2Li5 pentagonal bipyramids. In the second N site, N(2) is bonded to one Li(3), two equivalent Li(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form distorted NSr2Li3Cu2 pentagonal bipyramids that share corners with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, corners with four equivalent N(3)Sr2Li5 pentagonal bipyramids, edges with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, and edges with two equivalent N(4)Sr2Li5 pentagonal bipyramids. In the third N site, N(3) is bonded to one Li(2), two equivalent Li(4), two equivalent Li(7), and two equivalent Sr(2) atoms to form distorted NSr2Li5 pentagonal bipyramids that share corners with two equivalent N(3)Sr2Li5 pentagonal bipyramids, corners with four equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, edges with two equivalent N(1)Sr2Li5 pentagonal bipyramids, and edges with two equivalent N(3)Sr2Li5 pentagonal bipyramids. In the fourth N site, N(4) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(6), and two equivalent Sr(1) atoms to form distorted NSr2Li5 pentagonal bipyramids that share corners with two equivalent N(4)Sr2Li5 pentagonal bipyramids, corners with four equivalent N(1)Sr2Li5 pentagonal bipyramids, edges with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, and edges with two equivalent N(4)Sr2Li5 pentagonal bipyramids.
Li7Sr2CuN4 crystallizes in the orthorhombic Imm2 space group. There are seven inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal planar geometry to one N(4) and two equivalent N(2) atoms. The Li(1)-N(4) bond length is 2.13 Å. Both Li(1)-N(2) bond lengths are 2.17 Å. In the second Li site, Li(2) is bonded in a trigonal planar geometry to one N(3) and two equivalent N(1) atoms. The Li(2)-N(3) bond length is 2.16 Å. Both Li(2)-N(1) bond lengths are 2.10 Å. In the third Li site, Li(3) is bonded in a trigonal planar geometry to one N(2) and two equivalent N(4) atoms. The Li(3)-N(2) bond length is 2.16 Å. Both Li(3)-N(4) bond lengths are 2.16 Å. In the fourth Li site, Li(4) is bonded in a trigonal planar geometry to one N(1) and two equivalent N(3) atoms. The Li(4)-N(1) bond length is 2.14 Å. Both Li(4)-N(3) bond lengths are 2.11 Å. In the fifth Li site, Li(5) is bonded in a linear geometry to two equivalent N(1) atoms. Both Li(5)-N(1) bond lengths are 1.93 Å. In the sixth Li site, Li(6) is bonded in a linear geometry to two equivalent N(4) atoms. Both Li(6)-N(4) bond lengths are 1.88 Å. In the seventh Li site, Li(7) is bonded in a linear geometry to two equivalent N(3) atoms. Both Li(7)-N(3) bond lengths are 1.93 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to two equivalent N(1) and two equivalent N(4) atoms. Both Sr(1)-N(1) bond lengths are 2.64 Å. Both Sr(1)-N(4) bond lengths are 2.66 Å. In the second Sr site, Sr(2) is bonded in a 4-coordinate geometry to two equivalent N(2) and two equivalent N(3) atoms. Both Sr(2)-N(2) bond lengths are 2.69 Å. Both Sr(2)-N(3) bond lengths are 2.63 Å. Cu(1) is bonded in a linear geometry to two equivalent N(2) atoms. Both Cu(1)-N(2) bond lengths are 1.87 Å. There are four inequivalent N sites. In the first N site, N(1) is bonded to one Li(4), two equivalent Li(2), two equivalent Li(5), and two equivalent Sr(1) atoms to form a mixture of distorted edge and corner-sharing NSr2Li5 pentagonal bipyramids. In the second N site, N(2) is bonded to one Li(3), two equivalent Li(1), two equivalent Sr(2), and two equivalent Cu(1) atoms to form distorted NSr2Li3Cu2 pentagonal bipyramids that share corners with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, corners with four equivalent N(3)Sr2Li5 pentagonal bipyramids, edges with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, and edges with two equivalent N(4)Sr2Li5 pentagonal bipyramids. In the third N site, N(3) is bonded to one Li(2), two equivalent Li(4), two equivalent Li(7), and two equivalent Sr(2) atoms to form distorted NSr2Li5 pentagonal bipyramids that share corners with two equivalent N(3)Sr2Li5 pentagonal bipyramids, corners with four equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, edges with two equivalent N(1)Sr2Li5 pentagonal bipyramids, and edges with two equivalent N(3)Sr2Li5 pentagonal bipyramids. In the fourth N site, N(4) is bonded to one Li(1), two equivalent Li(3), two equivalent Li(6), and two equivalent Sr(1) atoms to form distorted NSr2Li5 pentagonal bipyramids that share corners with two equivalent N(4)Sr2Li5 pentagonal bipyramids, corners with four equivalent N(1)Sr2Li5 pentagonal bipyramids, edges with two equivalent N(2)Sr2Li3Cu2 pentagonal bipyramids, and edges with two equivalent N(4)Sr2Li5 pentagonal bipyramids.