Materials Data on Np(CO2)4 by Materials Project

Abstract

Np(CO2)4 is Protactinium structured and crystallizes in the tetragonal I-4 space group. The structure is zero-dimensional and consists of two Np(CO2)4 clusters. Np6+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.39 Å) and four longer (2.57 Å) Np–O bond lengths. C+2.50+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.24 Å) and one longer (1.26 Å) C–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one Np6+ and one C+2.50+ atom. The O–Np bond length is 2.57 Å. The O–C bond length is 1.24 Å. In the second O2- site, O2- is bonded in a distorted L-shaped geometry to one Np6+ and one C+2.50+ atom. The O–Np bond length is 2.39 Å. The O–C bond length is 1.26 Å.