Li3Cr4PH3O16 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one H(2), one O(6), and two equivalent O(3) atoms to form LiHO3 trigonal pyramids that share  a cornercorner with one Cr(3)O4 tetrahedra and corners with two equivalent Cr(1)O4 tetrahedra. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one H(1), one O(1), one O(7), and one O(9) atom. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form CrO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one Li(1)HO3 trigonal pyramid. In the second Cr site, Cr(2) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form CrO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra. In the third Cr site, Cr(3) is bonded to one O(6), one O(8), and two equivalent O(9) atoms to form CrO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one Li(1)HO3 trigonal pyramid. P(1) is bonded to one O(4), one O(8), and two equivalent O(10) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra, and corners with two equivalent Cr(1)O4 tetrahedra. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Li(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Li(1) atom. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a linear geometry to one Cr(3) and one P(1) atom. In the second O site, O(9) is bonded in a bent 120 degrees geometry to one Li(2) and one Cr(3) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Li(2) and one Cr(2) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one Cr(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Cr(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the eighth O site, O(5) is bonded in a single-bond geometry to one Cr(2) atom. In the ninth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one Cr(3) atom. In the tenth O site, O(7) is bonded in a bent 120 degrees geometry to one Li(2) and one Cr(1) atom.
Li3Cr4PH3O16 crystallizes in the monoclinic Cm space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one H(2), one O(6), and two equivalent O(3) atoms to form LiHO3 trigonal pyramids that share  a cornercorner with one Cr(3)O4 tetrahedra and corners with two equivalent Cr(1)O4 tetrahedra. The Li(1)-H(2) bond length is 2.16 Å. The Li(1)-O(6) bond length is 1.97 Å. Both Li(1)-O(3) bond lengths are 1.97 Å. In the second Li site, Li(2) is bonded in a distorted rectangular see-saw-like geometry to one H(1), one O(1), one O(7), and one O(9) atom. The Li(2)-H(1) bond length is 2.28 Å. The Li(2)-O(1) bond length is 1.94 Å. The Li(2)-O(7) bond length is 1.99 Å. The Li(2)-O(9) bond length is 1.94 Å. There are three inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form CrO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one Li(1)HO3 trigonal pyramid. The Cr(1)-O(10) bond length is 1.85 Å. The Cr(1)-O(2) bond length is 1.61 Å. The Cr(1)-O(3) bond length is 1.63 Å. The Cr(1)-O(7) bond length is 1.64 Å. In the second Cr site, Cr(2) is bonded to one O(4), one O(5), and two equivalent O(1) atoms to form CrO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra. The Cr(2)-O(4) bond length is 1.85 Å. The Cr(2)-O(5) bond length is 1.60 Å. Both Cr(2)-O(1) bond lengths are 1.64 Å. In the third Cr site, Cr(3) is bonded to one O(6), one O(8), and two equivalent O(9) atoms to form CrO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra and  a cornercorner with one Li(1)HO3 trigonal pyramid. The Cr(3)-O(6) bond length is 1.63 Å. The Cr(3)-O(8) bond length is 1.84 Å. Both Cr(3)-O(9) bond lengths are 1.63 Å. P(1) is bonded to one O(4), one O(8), and two equivalent O(10) atoms to form PO4 tetrahedra that share  a cornercorner with one Cr(2)O4 tetrahedra,  a cornercorner with one Cr(3)O4 tetrahedra, and corners with two equivalent Cr(1)O4 tetrahedra. The P(1)-O(4) bond length is 1.54 Å. The P(1)-O(8) bond length is 1.53 Å. Both P(1)-O(10) bond lengths are 1.54 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one Li(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one Li(1) atom. There are ten inequivalent O sites. In the first O site, O(8) is bonded in a linear geometry to one Cr(3) and one P(1) atom. In the second O site, O(9) is bonded in a bent 120 degrees geometry to one Li(2) and one Cr(3) atom. In the third O site, O(10) is bonded in a bent 150 degrees geometry to one Cr(1) and one P(1) atom. In the fourth O site, O(1) is bonded in a bent 150 degrees geometry to one Li(2) and one Cr(2) atom. In the fifth O site, O(2) is bonded in a single-bond geometry to one Cr(1) atom. In the sixth O site, O(3) is bonded in a bent 150 degrees geometry to one Li(1) and one Cr(1) atom. In the seventh O site, O(4) is bonded in a bent 150 degrees geometry to one Cr(2) and one P(1) atom. In the eighth O site, O(5) is bonded in a single-bond geometry to one Cr(2) atom. In the ninth O site, O(6) is bonded in a bent 150 degrees geometry to one Li(1) and one Cr(3) atom. In the tenth O site, O(7) is bonded in a bent 120 degrees geometry to one Li(2) and one Cr(1) atom.