Materials Data on LaP2H2O9 by Materials Project
LaP2H2O7O2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen peroxide molecules and one LaP2H2O7 sheet oriented in the (1, 0, 0) direction. In the LaP2H2O7 sheet, La is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.38–2.66 Å. There are two inequivalent P sites. In the first P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There are a spread of P–O bond distances ranging from 1.52–1.56 Å. In the second P site, P is bonded in a distorted tetrahedral geometry to one H and three O atoms. The P–H bond length is 1.41 Å. There is two shorter (1.51 Å) and one longer (1.72 Å) P–O bond length. There are two inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one P atom. In the second H site, H is bonded in a single-bond geometry to one P atom. There are seven inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one La and one P atom. In the second O site, O is bonded in a distorted water-like geometry to one P and one O atom. The O–O bond length is 1.35 Å. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one La and one P atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent La and one P atom. In the sixth O site, O is bonded in a distorted single-bond geometry to two equivalent La and one P atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one La and one P atom.