Materials Data on Np3HF12 by Materials Project

Abstract

Np3HF12 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are six inequivalent Np+3.67+ sites. In the first Np+3.67+ site, Np+3.67+ is bonded in a 7-coordinate geometry to one H1+ and seven F1- atoms. The Np–H bond length is 2.74 Å. There are a spread of Np–F bond distances ranging from 2.18–2.29 Å. In the second Np+3.67+ site, Np+3.67+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Np–F bond distances ranging from 2.25–2.52 Å. In the third Np+3.67+ site, Np+3.67+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Np–F bond distances ranging from 2.23–2.31 Å. In the fourth Np+3.67+ site, Np+3.67+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Np–F bond distances ranging from 2.24–2.31 Å. In the fifth Np+3.67+ site, Np+3.67+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Np–F bond distances ranging from 2.25–2.51 Å. In the sixth Np+3.67+ site, Np+3.67+ is bonded in a 8-coordinate geometry to one H1+ and seven F1- atoms. The Np–H bond length is 2.05 Å. There are a spread of Np–F bond distances ranging from 2.20–2.32 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one Np+3.67+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one Np+3.67+ atom. There are twenty-four inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+3.67+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two Np+3.67+ atoms. In the third F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+3.67+ atoms. In the fourth F1- site, F1- is bonded in a distorted linear geometry to two Np+3.67+ atoms. In the fifth F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+3.67+ atoms. In the sixth F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+3.67+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Np+3.67+ atoms. In the eighth F1- site, F1- is bonded in a linear geometry to two Np+3.67+ atoms. In the ninth F1- site, F1- is bonded in a linear geometry to two Np+3.67+ atoms. In the tenth F1- site, F1- is bonded in a linear geometry to two Np+3.67+ atoms. In the eleventh F1- site, F1- is bonded in a bent 120 degrees geometry to two Np+3.67+ atoms. In the twelfth F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+3.67+ atoms. In the thirteenth F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+3.67+ atoms. In the fourteenth F1- site, F1- is bonded in a distorted linear geometry to two Np+3.67+ atoms. In the fifteenth F1- site, F1- is bonded in a bent 120 degrees geometry to two Np+3.67+ atoms. In the sixteenth F1- site, F1- is bonded in a linear geometry to two Np+3.67+ atoms. In the seventeenth F1- site, F1- is bonded in a bent 120 degrees geometry to two Np+3.67+ atoms. In the eighteenth F1- site, F1- is bonded in a 2-coordinate geometry to two Np+3.67+ atoms. In the nineteenth F1- site, F1- is bonded in a bent 120 degrees geometry to two Np+3.67+ atoms. In the twentieth F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+3.67+ atoms. In the twenty-first F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+3.67+ atoms. In the twenty-second F1- site, F1- is bonded in a bent 120 degrees geometry to two Np+3.67+ atoms. In the twenty-third F1- site, F1- is bonded in a bent 150 degrees geometry to two Np+3.67+ atoms. In the twenty-fourth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two Np+3.67+ atoms.