NaBaP3(HO2)6 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one O(10), one O(2), one O(4), one O(8), one O(9), and two equivalent O(5) atoms to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Na(1)O7 pentagonal bipyramid, and  an edgeedge with one P(3)O4 tetrahedra. Ba(1) is bonded in a 9-coordinate geometry to one O(12), one O(2), one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Na(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. In the third P site, P(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O7 pentagonal bipyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Na(1)O7 pentagonal bipyramid. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(12) atom. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one Ba(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1), one P(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ba(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Na(1), one Ba(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one Ba(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Na(1), one H(1), and one H(2) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to two equivalent Ba(1), one H(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ba(1), one H(5), and one H(6) atom.
NaBaP3(HO2)6 crystallizes in the triclinic P-1 space group. Na(1) is bonded to one O(10), one O(2), one O(4), one O(8), one O(9), and two equivalent O(5) atoms to form distorted NaO7 pentagonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  an edgeedge with one Na(1)O7 pentagonal bipyramid, and  an edgeedge with one P(3)O4 tetrahedra. The Na(1)-O(10) bond length is 2.48 Å. The Na(1)-O(2) bond length is 2.61 Å. The Na(1)-O(4) bond length is 2.71 Å. The Na(1)-O(8) bond length is 2.54 Å. The Na(1)-O(9) bond length is 2.60 Å. There is one shorter (2.36 Å) and one longer (2.73 Å) Na(1)-O(5) bond length. Ba(1) is bonded in a 9-coordinate geometry to one O(12), one O(2), one O(3), one O(5), one O(6), one O(8), one O(9), and two equivalent O(11) atoms. The Ba(1)-O(12) bond length is 2.91 Å. The Ba(1)-O(2) bond length is 2.85 Å. The Ba(1)-O(3) bond length is 2.84 Å. The Ba(1)-O(5) bond length is 2.99 Å. The Ba(1)-O(6) bond length is 2.79 Å. The Ba(1)-O(8) bond length is 2.96 Å. The Ba(1)-O(9) bond length is 2.73 Å. There is one shorter (2.83 Å) and one longer (2.96 Å) Ba(1)-O(11) bond length. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O7 pentagonal bipyramid,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The P(1)-O(1) bond length is 1.62 Å. The P(1)-O(2) bond length is 1.51 Å. The P(1)-O(3) bond length is 1.49 Å. The P(1)-O(7) bond length is 1.64 Å. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Na(1)O7 pentagonal bipyramids,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The P(2)-O(1) bond length is 1.63 Å. The P(2)-O(4) bond length is 1.64 Å. The P(2)-O(5) bond length is 1.51 Å. The P(2)-O(6) bond length is 1.49 Å. In the third P site, P(3) is bonded to one O(4), one O(7), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O7 pentagonal bipyramid,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and  an edgeedge with one Na(1)O7 pentagonal bipyramid. The P(3)-O(4) bond length is 1.64 Å. The P(3)-O(7) bond length is 1.64 Å. The P(3)-O(8) bond length is 1.50 Å. The P(3)-O(9) bond length is 1.49 Å. There are six inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(10) atom. The H(1)-O(10) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. The H(2)-O(10) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) atom. The H(3)-O(11) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(11) atom. The H(4)-O(11) bond length is 0.98 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(12) atom. The H(5)-O(12) bond length is 0.99 Å. In the sixth H site, H(6) is bonded in a single-bond geometry to one O(12) atom. The H(6)-O(12) bond length is 0.98 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(2) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Na(1), one Ba(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Ba(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one Na(1), one P(2), and one P(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to two equivalent Na(1), one Ba(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Ba(1) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Na(1), one Ba(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Na(1), one Ba(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted water-like geometry to one Na(1), one H(1), and one H(2) atom. In the eleventh O site, O(11) is bonded in a water-like geometry to two equivalent Ba(1), one H(3), and one H(4) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Ba(1), one H(5), and one H(6) atom.