LiBa2Ge3 crystallizes in the orthorhombic Fddd space group. Li(1) is bonded in a trigonal planar geometry to two equivalent Ba(2), four equivalent Ba(1), one Ge(2), and two equivalent Ge(1) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Li(1), two equivalent Ge(2), and six equivalent Ge(1) atoms to form distorted BaLi4Ge8 cuboctahedra that share edges with six equivalent Ba(2)Li2Ge10 cuboctahedra, edges with six equivalent Ba(1)Li4Ge8 cuboctahedra, faces with three equivalent Ba(1)Li4Ge8 cuboctahedra, and faces with five equivalent Ba(2)Li2Ge10 cuboctahedra. In the second Ba site, Ba(2) is bonded to two equivalent Li(1), four equivalent Ge(2), and six equivalent Ge(1) atoms to form distorted BaLi2Ge10 cuboctahedra that share edges with six equivalent Ba(2)Li2Ge10 cuboctahedra, edges with six equivalent Ba(1)Li4Ge8 cuboctahedra, faces with three equivalent Ba(2)Li2Ge10 cuboctahedra, and faces with five equivalent Ba(1)Li4Ge8 cuboctahedra. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to one Li(1), three equivalent Ba(1), and three equivalent Ba(2) atoms. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Ba(1), and four equivalent Ba(2) atoms.
LiBa2Ge3 crystallizes in the orthorhombic Fddd space group. Li(1) is bonded in a trigonal planar geometry to two equivalent Ba(2), four equivalent Ba(1), one Ge(2), and two equivalent Ge(1) atoms. Both Li(1)-Ba(2) bond lengths are 3.58 Å. All Li(1)-Ba(1) bond lengths are 3.56 Å. The Li(1)-Ge(2) bond length is 2.61 Å. Both Li(1)-Ge(1) bond lengths are 2.64 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to four equivalent Li(1), two equivalent Ge(2), and six equivalent Ge(1) atoms to form distorted BaLi4Ge8 cuboctahedra that share edges with six equivalent Ba(2)Li2Ge10 cuboctahedra, edges with six equivalent Ba(1)Li4Ge8 cuboctahedra, faces with three equivalent Ba(1)Li4Ge8 cuboctahedra, and faces with five equivalent Ba(2)Li2Ge10 cuboctahedra. Both Ba(1)-Ge(2) bond lengths are 3.59 Å. There are a spread of Ba(1)-Ge(1) bond distances ranging from 3.52-3.62 Å. In the second Ba site, Ba(2) is bonded to two equivalent Li(1), four equivalent Ge(2), and six equivalent Ge(1) atoms to form distorted BaLi2Ge10 cuboctahedra that share edges with six equivalent Ba(2)Li2Ge10 cuboctahedra, edges with six equivalent Ba(1)Li4Ge8 cuboctahedra, faces with three equivalent Ba(2)Li2Ge10 cuboctahedra, and faces with five equivalent Ba(1)Li4Ge8 cuboctahedra. There are two shorter (3.49 Å) and two longer (3.61 Å) Ba(2)-Ge(2) bond lengths. There are a spread of Ba(2)-Ge(1) bond distances ranging from 3.43-3.67 Å. There are two inequivalent Ge sites. In the first Ge site, Ge(1) is bonded in a distorted single-bond geometry to one Li(1), three equivalent Ba(1), and three equivalent Ba(2) atoms. In the second Ge site, Ge(2) is bonded in a distorted single-bond geometry to one Li(1), two equivalent Ba(1), and four equivalent Ba(2) atoms.