LiSr2Si3 crystallizes in the orthorhombic Fddd space group. Li(1) is bonded in a trigonal planar geometry to two equivalent Sr(2), four equivalent Sr(1), one Si(2), and two equivalent Si(1) atoms. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Li(1), two equivalent Si(2), and six equivalent Si(1) atoms to form distorted SrLi4Si8 cuboctahedra that share edges with six equivalent Sr(2)Li2Si10 cuboctahedra, edges with six equivalent Sr(1)Li4Si8 cuboctahedra, faces with three equivalent Sr(1)Li4Si8 cuboctahedra, and faces with five equivalent Sr(2)Li2Si10 cuboctahedra. In the second Sr site, Sr(2) is bonded to two equivalent Li(1), four equivalent Si(2), and six equivalent Si(1) atoms to form distorted SrLi2Si10 cuboctahedra that share edges with six equivalent Sr(2)Li2Si10 cuboctahedra, edges with six equivalent Sr(1)Li4Si8 cuboctahedra, faces with three equivalent Sr(2)Li2Si10 cuboctahedra, and faces with five equivalent Sr(1)Li4Si8 cuboctahedra. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one Li(1), three equivalent Sr(1), and three equivalent Sr(2) atoms. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Sr(1), and four equivalent Sr(2) atoms.
LiSr2Si3 crystallizes in the orthorhombic Fddd space group. Li(1) is bonded in a trigonal planar geometry to two equivalent Sr(2), four equivalent Sr(1), one Si(2), and two equivalent Si(1) atoms. Both Li(1)-Sr(2) bond lengths are 3.36 Å. There are two shorter (3.35 Å) and two longer (3.37 Å) Li(1)-Sr(1) bond lengths. The Li(1)-Si(2) bond length is 2.55 Å. Both Li(1)-Si(1) bond lengths are 2.56 Å. There are two inequivalent Sr sites. In the first Sr site, Sr(1) is bonded to four equivalent Li(1), two equivalent Si(2), and six equivalent Si(1) atoms to form distorted SrLi4Si8 cuboctahedra that share edges with six equivalent Sr(2)Li2Si10 cuboctahedra, edges with six equivalent Sr(1)Li4Si8 cuboctahedra, faces with three equivalent Sr(1)Li4Si8 cuboctahedra, and faces with five equivalent Sr(2)Li2Si10 cuboctahedra. Both Sr(1)-Si(2) bond lengths are 3.40 Å. There are a spread of Sr(1)-Si(1) bond distances ranging from 3.35-3.42 Å. In the second Sr site, Sr(2) is bonded to two equivalent Li(1), four equivalent Si(2), and six equivalent Si(1) atoms to form distorted SrLi2Si10 cuboctahedra that share edges with six equivalent Sr(2)Li2Si10 cuboctahedra, edges with six equivalent Sr(1)Li4Si8 cuboctahedra, faces with three equivalent Sr(2)Li2Si10 cuboctahedra, and faces with five equivalent Sr(1)Li4Si8 cuboctahedra. There are two shorter (3.29 Å) and two longer (3.40 Å) Sr(2)-Si(2) bond lengths. There are a spread of Sr(2)-Si(1) bond distances ranging from 3.24-3.44 Å. There are two inequivalent Si sites. In the first Si site, Si(1) is bonded in a distorted single-bond geometry to one Li(1), three equivalent Sr(1), and three equivalent Sr(2) atoms. In the second Si site, Si(2) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Sr(1), and four equivalent Sr(2) atoms.