LiPNH3O3 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(6), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with three equivalent P(2)N2O2 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent P(1)N2O2 tetrahedra and  an edgeedge with one Li(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one O(1), and one O(2) atom to form PN2O2 tetrahedra that share corners with two equivalent P(2)N2O2 tetrahedra and corners with three equivalent Li(2)O4 tetrahedra. In the second P site, P(2) is bonded to one N(1), one N(2), one O(3), and one O(4) atom to form PN2O2 tetrahedra that share corners with two equivalent P(1)N2O2 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one P(1), one P(2), and one H(2) atom. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one P(1), one P(2), and one H(1) atom. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(5) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one H(3), and one H(4) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Li(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Li(2) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(2) atom.
LiPNH3O3 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(6), and two equivalent O(4) atoms to form LiO4 tetrahedra that share corners with three equivalent P(2)N2O2 tetrahedra and  an edgeedge with one Li(1)O4 tetrahedra. The Li(1)-O(3) bond length is 1.97 Å. The Li(1)-O(6) bond length is 2.00 Å. There is one shorter (1.96 Å) and one longer (1.98 Å) Li(1)-O(4) bond length. In the second Li site, Li(2) is bonded to one O(2), one O(5), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with three equivalent P(1)N2O2 tetrahedra and  an edgeedge with one Li(2)O4 tetrahedra. The Li(2)-O(2) bond length is 1.97 Å. The Li(2)-O(5) bond length is 1.96 Å. Both Li(2)-O(1) bond lengths are 1.92 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one N(1), one N(2), one O(1), and one O(2) atom to form PN2O2 tetrahedra that share corners with two equivalent P(2)N2O2 tetrahedra and corners with three equivalent Li(2)O4 tetrahedra. The P(1)-N(1) bond length is 1.68 Å. The P(1)-N(2) bond length is 1.69 Å. The P(1)-O(1) bond length is 1.51 Å. The P(1)-O(2) bond length is 1.51 Å. In the second P site, P(2) is bonded to one N(1), one N(2), one O(3), and one O(4) atom to form PN2O2 tetrahedra that share corners with two equivalent P(1)N2O2 tetrahedra and corners with three equivalent Li(1)O4 tetrahedra. The P(2)-N(1) bond length is 1.68 Å. The P(2)-N(2) bond length is 1.68 Å. The P(2)-O(3) bond length is 1.53 Å. The P(2)-O(4) bond length is 1.51 Å. There are two inequivalent N sites. In the first N site, N(1) is bonded in a trigonal planar geometry to one P(1), one P(2), and one H(2) atom. The N(1)-H(2) bond length is 1.02 Å. In the second N site, N(2) is bonded in a distorted trigonal planar geometry to one P(1), one P(2), and one H(1) atom. The N(2)-H(1) bond length is 1.02 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one N(2) atom. In the second H site, H(2) is bonded in a single-bond geometry to one N(1) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(5) atom. The H(3)-O(5) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(5) atom. The H(4)-O(5) bond length is 1.00 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(6) atom. The H(5)-O(6) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(6) atom. The H(6)-O(6) bond length is 0.98 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one H(3), and one H(4) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one H(5), and one H(6) atom. In the third O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Li(2) and one P(1) atom. In the fourth O site, O(2) is bonded in a bent 120 degrees geometry to one Li(2) and one P(1) atom. In the fifth O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Li(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(2) atom.