LiBa4(GeO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(3)O4 tetrahedra, and corners with two equivalent Ge(1)O4 trigonal pyramids. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(7), two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(11), one O(8), two equivalent O(2), and two equivalent O(6) atoms. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(7), two equivalent O(10), and two equivalent O(3) atoms. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(11), one O(12), and one O(5) atom to form GeO4 trigonal pyramids that share corners with two equivalent Ge(2)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. In the second Ge site, Ge(2) is bonded to one O(11), one O(12), one O(2), and one O(6) atom to form corner-sharing GeO4 tetrahedra. In the third Ge site, Ge(3) is bonded to one O(10), one O(3), one O(7), and one O(9) atom to form GeO4 tetrahedra that share corners with two equivalent Ge(4)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. In the fourth Ge site, Ge(4) is bonded to one O(10), one O(4), one O(8), and one O(9) atom to form GeO4 tetrahedra that share corners with two equivalent Ge(3)O4 tetrahedra and  a cornercorner with one Li(1)O4 trigonal pyramid. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), one Ba(3), two equivalent Ba(1), and one Ge(1) atom. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(2), and one Ge(2) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(3), and one Ge(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(4), and one Ge(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Ba(3), two equivalent Ba(1), and one Ge(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(2), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), one Ba(3), and one Ge(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(4), and one Ge(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to two equivalent Ba(4), one Ge(3), and one Ge(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Ba(3), one Ge(3), and one Ge(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ge(1), and one Ge(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ge(1), and one Ge(2) atom.
LiBa4(GeO3)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(5), and one O(7) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Ge(4)O4 tetrahedra, corners with two equivalent Ge(3)O4 tetrahedra, and corners with two equivalent Ge(1)O4 trigonal pyramids. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(10) bond length is 2.21 Å. The Li(1)-O(5) bond length is 1.88 Å. The Li(1)-O(7) bond length is 1.95 Å. There are four inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 8-coordinate geometry to one O(2), one O(7), two equivalent O(1), two equivalent O(12), and two equivalent O(5) atoms. The Ba(1)-O(2) bond length is 2.80 Å. The Ba(1)-O(7) bond length is 2.67 Å. There is one shorter (2.74 Å) and one longer (2.85 Å) Ba(1)-O(1) bond length. There is one shorter (2.91 Å) and one longer (3.20 Å) Ba(1)-O(12) bond length. There is one shorter (2.92 Å) and one longer (3.23 Å) Ba(1)-O(5) bond length. In the second Ba site, Ba(2) is bonded in a 6-coordinate geometry to one O(11), one O(8), two equivalent O(2), and two equivalent O(6) atoms. The Ba(2)-O(11) bond length is 2.88 Å. The Ba(2)-O(8) bond length is 2.63 Å. There is one shorter (2.84 Å) and one longer (2.95 Å) Ba(2)-O(2) bond length. There is one shorter (2.75 Å) and one longer (3.16 Å) Ba(2)-O(6) bond length. In the third Ba site, Ba(3) is bonded in a 8-coordinate geometry to one O(1), one O(4), one O(5), one O(7), two equivalent O(10), and two equivalent O(3) atoms. The Ba(3)-O(1) bond length is 2.91 Å. The Ba(3)-O(4) bond length is 2.95 Å. The Ba(3)-O(5) bond length is 2.77 Å. The Ba(3)-O(7) bond length is 2.97 Å. There is one shorter (3.02 Å) and one longer (3.18 Å) Ba(3)-O(10) bond length. There is one shorter (2.65 Å) and one longer (2.77 Å) Ba(3)-O(3) bond length. In the fourth Ba site, Ba(4) is bonded in a 8-coordinate geometry to one O(3), one O(6), two equivalent O(4), two equivalent O(8), and two equivalent O(9) atoms. The Ba(4)-O(3) bond length is 2.86 Å. The Ba(4)-O(6) bond length is 2.70 Å. There is one shorter (2.72 Å) and one longer (2.85 Å) Ba(4)-O(4) bond length. There is one shorter (2.91 Å) and one longer (3.11 Å) Ba(4)-O(8) bond length. There is one shorter (3.09 Å) and one longer (3.31 Å) Ba(4)-O(9) bond length. There are four inequivalent Ge sites. In the first Ge site, Ge(1) is bonded to one O(1), one O(11), one O(12), and one O(5) atom to form GeO4 trigonal pyramids that share corners with two equivalent Ge(2)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. The Ge(1)-O(1) bond length is 1.81 Å. The Ge(1)-O(11) bond length is 1.92 Å. The Ge(1)-O(12) bond length is 1.88 Å. The Ge(1)-O(5) bond length is 1.81 Å. In the second Ge site, Ge(2) is bonded to one O(11), one O(12), one O(2), and one O(6) atom to form corner-sharing GeO4 tetrahedra. The Ge(2)-O(11) bond length is 1.84 Å. The Ge(2)-O(12) bond length is 1.86 Å. The Ge(2)-O(2) bond length is 1.78 Å. The Ge(2)-O(6) bond length is 1.77 Å. In the third Ge site, Ge(3) is bonded to one O(10), one O(3), one O(7), and one O(9) atom to form GeO4 tetrahedra that share corners with two equivalent Ge(4)O4 tetrahedra and corners with two equivalent Li(1)O4 trigonal pyramids. The Ge(3)-O(10) bond length is 1.85 Å. The Ge(3)-O(3) bond length is 1.75 Å. The Ge(3)-O(7) bond length is 1.74 Å. The Ge(3)-O(9) bond length is 1.82 Å. In the fourth Ge site, Ge(4) is bonded to one O(10), one O(4), one O(8), and one O(9) atom to form GeO4 tetrahedra that share corners with two equivalent Ge(3)O4 tetrahedra and  a cornercorner with one Li(1)O4 trigonal pyramid. The Ge(4)-O(10) bond length is 1.89 Å. The Ge(4)-O(4) bond length is 1.75 Å. The Ge(4)-O(8) bond length is 1.75 Å. The Ge(4)-O(9) bond length is 1.84 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Li(1), one Ba(3), two equivalent Ba(1), and one Ge(1) atom. In the second O site, O(2) is bonded to one Ba(1), two equivalent Ba(2), and one Ge(2) atom to form distorted corner-sharing OBa3Ge tetrahedra. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(3), and one Ge(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ba(3), two equivalent Ba(4), and one Ge(4) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to one Li(1), one Ba(3), two equivalent Ba(1), and one Ge(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Ba(4), two equivalent Ba(2), and one Ge(2) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Li(1), one Ba(1), one Ba(3), and one Ge(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Ba(2), two equivalent Ba(4), and one Ge(4) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to two equivalent Ba(4), one Ge(3), and one Ge(4) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Ba(3), one Ge(3), and one Ge(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Ba(2), one Ge(1), and one Ge(2) atom. In the twelfth O site, O(12) is bonded in a distorted bent 120 degrees geometry to two equivalent Ba(1), one Ge(1), and one Ge(2) atom.