Materials Data on As(NF2)3 by Materials Project

Dataset · Sat Jan 12 04:00:00 EST 2019

DOI:https://doi.org/10.17188/1654892· OSTI ID:1654892

N2AsNF6 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two ammonia molecules and one AsNF6 ribbon oriented in the (1, 0, 0) direction. In the AsNF6 ribbon, As5+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of As–F bond distances ranging from 1.73–1.89 Å. N+0.33+ is bonded in a linear geometry to two equivalent F1- atoms. Both N–F bond lengths are 1.79 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one As5+ atom. In the second F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one As5+ and one N+0.33+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one As5+ atom.

• Research Organization: LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
• Contributing Organization: The Materials Project; MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231
• OSTI ID: 1654892
• Report Number(s): mp-1214773
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
As(NF2)3
As-F-N
crystal structure