LiBaAl3P2(HO7)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 9-coordinate geometry to two equivalent Al(2), one P(2), one O(4), one O(8), two equivalent O(6), and two equivalent O(9) atoms. Ba(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(9) atoms. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(4), two equivalent O(10), and two equivalent O(9) atoms to form distorted AlO6 octahedra that share  a cornercorner with one P(2)LiO4 tetrahedra and  a cornercorner with one P(1)O4 tetrahedra. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Li(1), one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. In the second P site, P(2) is bonded to one Li(1), one O(2), one O(4), and two equivalent O(6) atoms to form distorted PLiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), one Al(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ba(1), one Al(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one Al(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Al(2) and one H(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Ba(1), one Al(1), one Al(2), and one O(9) atom. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Al(1), one Al(2), and one O(10) atom.
LiBaAl3P2(HO7)2 crystallizes in the monoclinic Cm space group. Li(1) is bonded in a 9-coordinate geometry to two equivalent Al(2), one P(2), one O(4), one O(8), two equivalent O(6), and two equivalent O(9) atoms. Both Li(1)-Al(2) bond lengths are 2.16 Å. The Li(1)-P(2) bond length is 2.00 Å. The Li(1)-O(4) bond length is 2.06 Å. The Li(1)-O(8) bond length is 1.87 Å. Both Li(1)-O(6) bond lengths are 1.86 Å. Both Li(1)-O(9) bond lengths are 1.76 Å. Ba(1) is bonded in a 10-coordinate geometry to one O(3), one O(4), two equivalent O(10), two equivalent O(5), two equivalent O(6), and two equivalent O(9) atoms. The Ba(1)-O(3) bond length is 2.94 Å. The Ba(1)-O(4) bond length is 3.09 Å. Both Ba(1)-O(10) bond lengths are 2.71 Å. Both Ba(1)-O(5) bond lengths are 3.12 Å. Both Ba(1)-O(6) bond lengths are 2.98 Å. Both Ba(1)-O(9) bond lengths are 2.69 Å. There are two inequivalent Al sites. In the first Al site, Al(1) is bonded to one O(3), one O(4), two equivalent O(10), and two equivalent O(9) atoms to form distorted AlO6 octahedra that share  a cornercorner with one P(2)LiO4 tetrahedra and  a cornercorner with one P(1)O4 tetrahedra. The Al(1)-O(3) bond length is 1.85 Å. The Al(1)-O(4) bond length is 1.94 Å. Both Al(1)-O(10) bond lengths are 1.87 Å. Both Al(1)-O(9) bond lengths are 1.89 Å. In the second Al site, Al(2) is bonded in a 7-coordinate geometry to one Li(1), one O(10), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Al(2)-O(10) bond length is 1.90 Å. The Al(2)-O(5) bond length is 1.82 Å. The Al(2)-O(6) bond length is 2.09 Å. The Al(2)-O(7) bond length is 1.85 Å. The Al(2)-O(8) bond length is 1.97 Å. The Al(2)-O(9) bond length is 2.19 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), and two equivalent O(5) atoms to form PO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 44°. The P(1)-O(1) bond length is 1.49 Å. The P(1)-O(3) bond length is 1.58 Å. Both P(1)-O(5) bond lengths are 1.59 Å. In the second P site, P(2) is bonded to one Li(1), one O(2), one O(4), and two equivalent O(6) atoms to form distorted PLiO4 tetrahedra that share  a cornercorner with one Al(1)O6 octahedra. The corner-sharing octahedral tilt angles are 38°. The P(2)-O(2) bond length is 1.48 Å. The P(2)-O(4) bond length is 1.60 Å. Both P(2)-O(6) bond lengths are 1.62 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. The H(1)-O(7) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. The H(2)-O(8) bond length is 1.00 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one P(1) atom. In the second O site, O(2) is bonded in a single-bond geometry to one P(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to one Ba(1), one Al(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Ba(1), one Al(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Ba(1), one Al(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(1), one Ba(1), one Al(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Al(2) and one H(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Al(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a 5-coordinate geometry to one Li(1), one Ba(1), one Al(1), one Al(2), and one O(9) atom. The O(9)-O(9) bond length is 1.59 Å. In the tenth O site, O(10) is bonded in a 4-coordinate geometry to one Ba(1), one Al(1), one Al(2), and one O(10) atom. The O(10)-O(10) bond length is 1.55 Å.