KNaP2H2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(2), one O(4), one O(6), and two equivalent O(9) atoms. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(5), one O(7), and two equivalent O(12) atoms. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(11), one O(13), one O(8), one O(9), and two equivalent O(6) atoms to form NaO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(14), one O(5), and two equivalent O(7) atoms to form NaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Na(2)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. In the third P site, P(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-58°. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(13) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(14) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(3), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(2), one Na(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), two equivalent Na(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), two equivalent Na(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to two equivalent K(1), one Na(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one K(1), one Na(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Na(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to two equivalent K(2), one Na(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one K(1), one Na(1), one H(1), and one H(2) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one K(2), one Na(2), one H(3), and one H(4) atom.
KNaP2H2O7 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(10), one O(11), one O(13), one O(2), one O(4), one O(6), and two equivalent O(9) atoms. The K(1)-O(10) bond length is 2.94 Å. The K(1)-O(11) bond length is 2.85 Å. The K(1)-O(13) bond length is 2.76 Å. The K(1)-O(2) bond length is 2.88 Å. The K(1)-O(4) bond length is 3.10 Å. The K(1)-O(6) bond length is 2.88 Å. There is one shorter (2.96 Å) and one longer (3.14 Å) K(1)-O(9) bond length. In the second K site, K(2) is bonded in a 8-coordinate geometry to one O(1), one O(11), one O(14), one O(3), one O(5), one O(7), and two equivalent O(12) atoms. The K(2)-O(1) bond length is 3.09 Å. The K(2)-O(11) bond length is 2.86 Å. The K(2)-O(14) bond length is 2.74 Å. The K(2)-O(3) bond length is 2.88 Å. The K(2)-O(5) bond length is 2.86 Å. The K(2)-O(7) bond length is 2.87 Å. There is one shorter (2.91 Å) and one longer (3.21 Å) K(2)-O(12) bond length. There are two inequivalent Na sites. In the first Na site, Na(1) is bonded to one O(11), one O(13), one O(8), one O(9), and two equivalent O(6) atoms to form NaO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Na(1)O6 octahedra. The Na(1)-O(11) bond length is 2.44 Å. The Na(1)-O(13) bond length is 2.42 Å. The Na(1)-O(8) bond length is 2.43 Å. The Na(1)-O(9) bond length is 2.55 Å. There is one shorter (2.45 Å) and one longer (2.61 Å) Na(1)-O(6) bond length. In the second Na site, Na(2) is bonded to one O(10), one O(12), one O(14), one O(5), and two equivalent O(7) atoms to form NaO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  an edgeedge with one Na(2)O6 octahedra. The Na(2)-O(10) bond length is 2.41 Å. The Na(2)-O(12) bond length is 2.55 Å. The Na(2)-O(14) bond length is 2.43 Å. The Na(2)-O(5) bond length is 2.48 Å. There is one shorter (2.47 Å) and one longer (2.58 Å) Na(2)-O(7) bond length. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Na(2)O6 octahedra, corners with two equivalent Na(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-60°. The P(1)-O(1) bond length is 1.64 Å. The P(1)-O(4) bond length is 1.64 Å. The P(1)-O(5) bond length is 1.50 Å. The P(1)-O(6) bond length is 1.50 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra, corners with two equivalent Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-59°. The P(2)-O(1) bond length is 1.64 Å. The P(2)-O(2) bond length is 1.63 Å. The P(2)-O(7) bond length is 1.50 Å. The P(2)-O(8) bond length is 1.50 Å. In the third P site, P(3) is bonded to one O(10), one O(2), one O(3), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-58°. The P(3)-O(10) bond length is 1.50 Å. The P(3)-O(2) bond length is 1.64 Å. The P(3)-O(3) bond length is 1.63 Å. The P(3)-O(9) bond length is 1.50 Å. In the fourth P site, P(4) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form PO4 tetrahedra that share  a cornercorner with one Na(1)O6 octahedra,  a cornercorner with one Na(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 55-58°. The P(4)-O(11) bond length is 1.50 Å. The P(4)-O(12) bond length is 1.50 Å. The P(4)-O(3) bond length is 1.64 Å. The P(4)-O(4) bond length is 1.64 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(13) atom. The H(1)-O(13) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(13) atom. The H(2)-O(13) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(14) atom. The H(3)-O(14) bond length is 0.99 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(14) atom. The H(4)-O(14) bond length is 0.99 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(1), and one P(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(2), and one P(3) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one K(2), one P(3), and one P(4) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one K(1), one P(1), and one P(4) atom. In the fifth O site, O(5) is bonded in a 1-coordinate geometry to one K(2), one Na(2), and one P(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one K(1), two equivalent Na(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), two equivalent Na(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Na(1) and one P(2) atom. In the ninth O site, O(9) is bonded in a 1-coordinate geometry to two equivalent K(1), one Na(1), and one P(3) atom. In the tenth O site, O(10) is bonded in a 1-coordinate geometry to one K(1), one Na(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to one K(1), one K(2), one Na(1), and one P(4) atom. In the twelfth O site, O(12) is bonded in a 1-coordinate geometry to two equivalent K(2), one Na(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted water-like geometry to one K(1), one Na(1), one H(1), and one H(2) atom. In the fourteenth O site, O(14) is bonded in a distorted water-like geometry to one K(2), one Na(2), one H(3), and one H(4) atom.