KCaSiHO4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent H(1), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. Ca(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ca(1)O6 octahedra. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-53°. H(1) is bonded in a distorted linear geometry to two equivalent K(1), one O(3), and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent Ca(1), and one Si(1) atom to form distorted corner-sharing OK2Ca2Si trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Ca(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Ca(1), one Si(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent K(1), one Ca(1), one Si(1), and one H(1) atom.
KCaSiHO4 crystallizes in the monoclinic P2_1 space group. K(1) is bonded in a 10-coordinate geometry to two equivalent H(1), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. There is one shorter (2.56 Å) and one longer (2.64 Å) K(1)-H(1) bond length. There is one shorter (2.81 Å) and one longer (2.84 Å) K(1)-O(1) bond length. There is one shorter (2.61 Å) and one longer (3.00 Å) K(1)-O(2) bond length. There is one shorter (2.60 Å) and one longer (3.26 Å) K(1)-O(3) bond length. There is one shorter (2.63 Å) and one longer (3.28 Å) K(1)-O(4) bond length. Ca(1) is bonded to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms to form CaO6 octahedra that share corners with six equivalent Si(1)O4 tetrahedra and edges with two equivalent Ca(1)O6 octahedra. The Ca(1)-O(3) bond length is 2.32 Å. The Ca(1)-O(4) bond length is 2.50 Å. There is one shorter (2.56 Å) and one longer (2.57 Å) Ca(1)-O(1) bond length. There is one shorter (2.38 Å) and one longer (2.41 Å) Ca(1)-O(2) bond length. Si(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form SiO4 tetrahedra that share corners with six equivalent Ca(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 36-53°. The Si(1)-O(1) bond length is 1.64 Å. The Si(1)-O(2) bond length is 1.65 Å. The Si(1)-O(3) bond length is 1.64 Å. The Si(1)-O(4) bond length is 1.72 Å. H(1) is bonded in a distorted linear geometry to two equivalent K(1), one O(3), and one O(4) atom. The H(1)-O(3) bond length is 1.56 Å. The H(1)-O(4) bond length is 1.04 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to two equivalent K(1), two equivalent Ca(1), and one Si(1) atom to form distorted corner-sharing OK2Ca2Si trigonal bipyramids. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent K(1), two equivalent Ca(1), and one Si(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to two equivalent K(1), one Ca(1), one Si(1), and one H(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent K(1), one Ca(1), one Si(1), and one H(1) atom.