CaC2O4H2O crystallizes in the monoclinic C2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(5) atoms. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to two equivalent O(4) atoms. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(3) atom. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one C(3), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one C(1) atom.
CaC2O4H2O crystallizes in the monoclinic C2 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. The Ca(1)-O(1) bond length is 2.38 Å. The Ca(1)-O(2) bond length is 2.49 Å. There is one shorter (2.47 Å) and one longer (2.52 Å) Ca(1)-O(3) bond length. There is one shorter (2.48 Å) and one longer (2.50 Å) Ca(1)-O(4) bond length. There is one shorter (2.46 Å) and one longer (2.50 Å) Ca(1)-O(5) bond length. There are three inequivalent C sites. In the first C site, C(1) is bonded in a distorted bent 120 degrees geometry to two equivalent O(5) atoms. Both C(1)-O(5) bond lengths are 1.27 Å. In the second C site, C(2) is bonded in a distorted bent 120 degrees geometry to two equivalent O(4) atoms. Both C(2)-O(4) bond lengths are 1.27 Å. In the third C site, C(3) is bonded in a distorted bent 120 degrees geometry to one O(2) and one O(3) atom. The C(3)-O(2) bond length is 1.27 Å. The C(3)-O(3) bond length is 1.27 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(1) atom. The H(1)-O(1) bond length is 0.97 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(1) and one O(2) atom. The H(2)-O(1) bond length is 1.00 Å. The H(2)-O(2) bond length is 1.66 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Ca(1), one H(1), and one H(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Ca(1), one C(3), and one H(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Ca(1) and one C(3) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one C(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to two equivalent Ca(1) and one C(1) atom.