LiSrNdCoO4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Nd(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(4) atoms to form distorted NdO5 trigonal bipyramids that share corners with two equivalent Co(1)O5 trigonal bipyramids, corners with four equivalent Nd(1)O5 trigonal bipyramids, and edges with two equivalent Co(1)O5 trigonal bipyramids. Co(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Nd(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Nd(1)O5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Nd(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Sr(1), and one Nd(1) atom to form distorted OSr2Li2Nd trigonal bipyramids that share corners with four equivalent O(4)Sr2Nd2Co2 octahedra, corners with four equivalent O(2)Sr2Li2Nd trigonal bipyramids, and  an edgeedge with one O(4)Sr2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 5-81°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Co(1) atoms to form distorted OSr2Nd2Co2 octahedra that share corners with two equivalent O(4)Sr2Nd2Co2 octahedra, corners with four equivalent O(2)Sr2Li2Nd trigonal bipyramids, edges with two equivalent O(4)Sr2Nd2Co2 octahedra, and  an edgeedge with one O(2)Sr2Li2Nd trigonal bipyramid. The corner-sharing octahedral tilt angles are 12°.
LiSrNdCoO4 crystallizes in the triclinic P1 space group. Li(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There is one shorter (1.94 Å) and one longer (2.46 Å) Li(1)-O(1) bond length. There is one shorter (2.13 Å) and one longer (2.16 Å) Li(1)-O(2) bond length. Sr(1) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There is one shorter (2.44 Å) and one longer (2.48 Å) Sr(1)-O(2) bond length. There is one shorter (2.47 Å) and one longer (2.48 Å) Sr(1)-O(3) bond length. There is one shorter (2.68 Å) and one longer (3.00 Å) Sr(1)-O(4) bond length. Nd(1) is bonded to one O(2), two equivalent O(1), and two equivalent O(4) atoms to form distorted NdO5 trigonal bipyramids that share corners with two equivalent Co(1)O5 trigonal bipyramids, corners with four equivalent Nd(1)O5 trigonal bipyramids, and edges with two equivalent Co(1)O5 trigonal bipyramids. The Nd(1)-O(2) bond length is 2.36 Å. Both Nd(1)-O(1) bond lengths are 2.32 Å. There is one shorter (2.39 Å) and one longer (2.41 Å) Nd(1)-O(4) bond length. Co(1) is bonded to one O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CoO5 trigonal bipyramids that share corners with two equivalent Nd(1)O5 trigonal bipyramids, corners with four equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent Nd(1)O5 trigonal bipyramids. The Co(1)-O(1) bond length is 2.37 Å. There is one shorter (2.00 Å) and one longer (2.02 Å) Co(1)-O(3) bond length. There is one shorter (2.09 Å) and one longer (2.10 Å) Co(1)-O(4) bond length. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to two equivalent Li(1), two equivalent Nd(1), and one Co(1) atom. In the second O site, O(2) is bonded to two equivalent Li(1), two equivalent Sr(1), and one Nd(1) atom to form distorted OSr2Li2Nd trigonal bipyramids that share corners with four equivalent O(4)Sr2Nd2Co2 octahedra, corners with four equivalent O(2)Sr2Li2Nd trigonal bipyramids, and  an edgeedge with one O(4)Sr2Nd2Co2 octahedra. The corner-sharing octahedral tilt angles range from 5-81°. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent Sr(1) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded to two equivalent Sr(1), two equivalent Nd(1), and two equivalent Co(1) atoms to form distorted OSr2Nd2Co2 octahedra that share corners with two equivalent O(4)Sr2Nd2Co2 octahedra, corners with four equivalent O(2)Sr2Li2Nd trigonal bipyramids, edges with two equivalent O(4)Sr2Nd2Co2 octahedra, and  an edgeedge with one O(2)Sr2Li2Nd trigonal bipyramid. The corner-sharing octahedral tilt angles are 12°.