KLiNi2H3(SeO5)2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(5), and two equivalent O(4) atoms. Ni(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Se(1)O4 tetrahedra, corners with two equivalent Se(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form SeO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. In the second Se site, Se(2) is bonded to one O(2), one O(8), and two equivalent O(4) atoms to form distorted SeO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one K(1), one Li(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one H(2), and one Se(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Ni(1), and one Se(1) atom. In the fourth O site, O(4) is bonded to one K(1), one Li(1), one Ni(1), and one Se(2) atom to form a mixture of edge and corner-sharing OKLiNiSe trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ni(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to two equivalent Ni(1), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), two equivalent Ni(1), and one Se(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), two equivalent Ni(1), and one Se(2) atom.
KLiNi2H3(SeO5)2 crystallizes in the monoclinic Cm space group. K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(7), one O(8), two equivalent O(3), and two equivalent O(4) atoms. The K(1)-O(1) bond length is 2.87 Å. The K(1)-O(2) bond length is 2.85 Å. The K(1)-O(7) bond length is 3.28 Å. The K(1)-O(8) bond length is 2.91 Å. Both K(1)-O(3) bond lengths are 2.89 Å. Both K(1)-O(4) bond lengths are 2.72 Å. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(5), and two equivalent O(4) atoms. The Li(1)-O(1) bond length is 1.87 Å. The Li(1)-O(5) bond length is 1.88 Å. Both Li(1)-O(4) bond lengths are 2.06 Å. Ni(1) is bonded to one O(3), one O(4), one O(5), one O(6), one O(7), and one O(8) atom to form NiO6 octahedra that share corners with two equivalent Se(1)O4 tetrahedra, corners with two equivalent Se(2)O4 tetrahedra, and edges with two equivalent Ni(1)O6 octahedra. The Ni(1)-O(3) bond length is 2.13 Å. The Ni(1)-O(4) bond length is 2.12 Å. The Ni(1)-O(5) bond length is 2.04 Å. The Ni(1)-O(6) bond length is 2.25 Å. The Ni(1)-O(7) bond length is 2.20 Å. The Ni(1)-O(8) bond length is 1.98 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(5) atom. The H(1)-O(5) bond length is 0.97 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) and one O(6) atom. The H(2)-O(2) bond length is 1.73 Å. The H(2)-O(6) bond length is 1.01 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(6) atom. The H(3)-O(6) bond length is 0.98 Å. There are two inequivalent Se sites. In the first Se site, Se(1) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form SeO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-55°. The Se(1)-O(1) bond length is 1.65 Å. The Se(1)-O(7) bond length is 1.71 Å. Both Se(1)-O(3) bond lengths are 1.68 Å. In the second Se site, Se(2) is bonded to one O(2), one O(8), and two equivalent O(4) atoms to form distorted SeO4 tetrahedra that share corners with four equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-62°. The Se(2)-O(2) bond length is 1.68 Å. The Se(2)-O(8) bond length is 2.09 Å. Both Se(2)-O(4) bond lengths are 1.77 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one K(1), one Li(1), and one Se(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one K(1), one H(2), and one Se(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one K(1), one Ni(1), and one Se(1) atom. In the fourth O site, O(4) is bonded to one K(1), one Li(1), one Ni(1), and one Se(2) atom to form a mixture of edge and corner-sharing OKLiNiSe trigonal pyramids. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ni(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a distorted water-like geometry to two equivalent Ni(1), one H(2), and one H(3) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one K(1), two equivalent Ni(1), and one Se(1) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one K(1), two equivalent Ni(1), and one Se(2) atom.