LiH7(SO4)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(16) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(15) and one O(6) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one O(8) atom. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(11) and one O(6) atom. In the sixth H site, H(6) is bonded in a linear geometry to one O(12) and one O(5) atom. In the seventh H site, H(7) is bonded in a linear geometry to one O(13) and one O(14) atom. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(11), one O(15), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. In the second S site, S(2) is bonded to one O(12), one O(16), one O(2), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. In the third S site, S(3) is bonded to one O(13), one O(3), one O(5), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. In the fourth S site, S(4) is bonded to one O(10), one O(14), one O(4), and one O(6) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one S(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one H(3) and one S(3) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one H(4) and one S(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one H(1), one H(6), and one S(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one H(2), one H(5), and one S(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one H(4), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one H(3), and one S(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Li(1) and one S(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(1) and one S(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one H(5) and one S(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one H(6) and one S(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one H(7) and one S(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one H(7) and one S(4) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one H(2) and one S(1) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one H(1) and one S(2) atom.
LiH7(SO4)4 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(1), one O(10), one O(2), one O(7), one O(8), and one O(9) atom to form LiO6 octahedra that share  a cornercorner with one S(3)O4 tetrahedra,  a cornercorner with one S(4)O4 tetrahedra, corners with two equivalent S(1)O4 tetrahedra, and corners with two equivalent S(2)O4 tetrahedra. The Li(1)-O(1) bond length is 2.09 Å. The Li(1)-O(10) bond length is 2.33 Å. The Li(1)-O(2) bond length is 2.09 Å. The Li(1)-O(7) bond length is 2.39 Å. The Li(1)-O(8) bond length is 2.28 Å. The Li(1)-O(9) bond length is 2.06 Å. There are seven inequivalent H sites. In the first H site, H(1) is bonded in a distorted linear geometry to one O(16) and one O(5) atom. The H(1)-O(16) bond length is 1.02 Å. The H(1)-O(5) bond length is 1.64 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(15) and one O(6) atom. The H(2)-O(15) bond length is 1.01 Å. The H(2)-O(6) bond length is 1.68 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(3) and one O(8) atom. The H(3)-O(3) bond length is 1.00 Å. The H(3)-O(8) bond length is 1.74 Å. In the fourth H site, H(4) is bonded in a distorted single-bond geometry to one O(4) and one O(7) atom. The H(4)-O(4) bond length is 1.01 Å. The H(4)-O(7) bond length is 1.67 Å. In the fifth H site, H(5) is bonded in a distorted single-bond geometry to one O(11) and one O(6) atom. The H(5)-O(11) bond length is 1.02 Å. The H(5)-O(6) bond length is 1.66 Å. In the sixth H site, H(6) is bonded in a linear geometry to one O(12) and one O(5) atom. The H(6)-O(12) bond length is 1.03 Å. The H(6)-O(5) bond length is 1.58 Å. In the seventh H site, H(7) is bonded in a linear geometry to one O(13) and one O(14) atom. The H(7)-O(13) bond length is 1.40 Å. The H(7)-O(14) bond length is 1.08 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded to one O(1), one O(11), one O(15), and one O(7) atom to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 38-55°. The S(1)-O(1) bond length is 1.44 Å. The S(1)-O(11) bond length is 1.55 Å. The S(1)-O(15) bond length is 1.56 Å. The S(1)-O(7) bond length is 1.45 Å. In the second S site, S(2) is bonded to one O(12), one O(16), one O(2), and one O(8) atom to form SO4 tetrahedra that share corners with two equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 43-51°. The S(2)-O(12) bond length is 1.55 Å. The S(2)-O(16) bond length is 1.56 Å. The S(2)-O(2) bond length is 1.44 Å. The S(2)-O(8) bond length is 1.46 Å. In the third S site, S(3) is bonded to one O(13), one O(3), one O(5), and one O(9) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 5°. The S(3)-O(13) bond length is 1.47 Å. The S(3)-O(3) bond length is 1.58 Å. The S(3)-O(5) bond length is 1.49 Å. The S(3)-O(9) bond length is 1.45 Å. In the fourth S site, S(4) is bonded to one O(10), one O(14), one O(4), and one O(6) atom to form SO4 tetrahedra that share  a cornercorner with one Li(1)O6 octahedra. The corner-sharing octahedral tilt angles are 11°. The S(4)-O(10) bond length is 1.44 Å. The S(4)-O(14) bond length is 1.52 Å. The S(4)-O(4) bond length is 1.56 Å. The S(4)-O(6) bond length is 1.47 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Li(1) and one S(1) atom. In the second O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Li(1) and one S(2) atom. In the third O site, O(3) is bonded in a water-like geometry to one H(3) and one S(3) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one H(4) and one S(4) atom. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one H(1), one H(6), and one S(3) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one H(2), one H(5), and one S(4) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one H(4), and one S(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Li(1), one H(3), and one S(2) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Li(1) and one S(3) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(1) and one S(4) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one H(5) and one S(1) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one H(6) and one S(2) atom. In the thirteenth O site, O(13) is bonded in a bent 120 degrees geometry to one H(7) and one S(3) atom. In the fourteenth O site, O(14) is bonded in a bent 120 degrees geometry to one H(7) and one S(4) atom. In the fifteenth O site, O(15) is bonded in a water-like geometry to one H(2) and one S(1) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one H(1) and one S(2) atom.