Materials Data on LaC2ClO7 by Materials Project

Abstract

LaCO5ClCO2 crystallizes in the monoclinic P2_1/c space group. The structure is one-dimensional and consists of four carbon dioxide molecules and two LaCO5Cl ribbons oriented in the (0, 0, 1) direction. In each LaCO5Cl ribbon, La is bonded in a 1-coordinate geometry to three O and one Cl atom. There are a spread of La–O bond distances ranging from 2.02–2.89 Å. The La–Cl bond length is 2.92 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 (1.27 Å) C–O bond length. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one C atom. In the second O site, O is bonded in a distorted bent 120 degrees geometry to one La and one C atom. In the third O site, O is bonded in a single-bond geometry to one La and one Cl atom. The O–Cl bond length is 2.42 Å. In the fourth O site, O is bonded in an L-shaped geometry to one La and one O atom. The O–O bond length is 1.24 Å. In the fifth O site, O is bonded in a distorted single-bond geometry to one O atom. Cl is bonded in a distorted bent 120 degrees geometry to one La and one O atom.