DOE OSTI2020
LaCH6O7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. La is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of La–O bond distances ranging from 2.36–2.98 Å. C is bonded in a distorted bent 120 degrees geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.28 Å) C–O bond length. There are six inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the fourth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the fifth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the sixth H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.98 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one La and one C atom. In the second O site, O is bonded in a single-bond geometry to one La and one C atom. In the third O site, O is bonded in a 3-coordinate geometry to two equivalent La and one O atom. The O–O bond length is 1.50 Å. In the fourth O site, O is bonded in a 3-coordinate geometry to two equivalent La and one O atom. In the fifth O site, O is bonded in a water-like geometry to one La and two H atoms. In the sixth O site, O is bonded in a water-like geometry to one La and two H atoms. In the seventh O site, O is bonded in a water-like geometry to two equivalent La and two H atoms.