DOE OSTI2020
(NpF5)2CoH6H2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of four hydrogen molecules; two CoH6 clusters; and one NpF5 sheet oriented in the (0, 0, 1) direction. In each CoH6 cluster, Co2+ is bonded in an octahedral geometry to six H+0.25+ atoms. There is two shorter (1.53 Å) and four longer (1.57 Å) Co–H bond length. There are three inequivalent H+0.25+ sites. In the first H+0.25+ site, H+0.25+ is bonded in a 2-coordinate geometry to one Co2+ and one H+0.25+ atom. The H–H bond length is 0.90 Å. In the second H+0.25+ site, H+0.25+ is bonded in a single-bond geometry to one Co2+ atom. In the third H+0.25+ site, H+0.25+ is bonded in a 2-coordinate geometry to one Co2+ and one H+0.25+ atom. In the NpF5 sheet, Np3+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Np–F bond distances ranging from 2.05–2.56 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Np3+ atom. In the second F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent Np3+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent Np3+ atoms. In the fourth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Np3+ atoms. In the fifth F1- site, F1- is bonded in a bent 120 degrees geometry to two equivalent Np3+ atoms.