Materials Data on PrN2Cl5 by Materials Project
PrCl4N2Cl crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional and consists of four N2Cl clusters and one PrCl4 framework. In each N2Cl cluster, N1+ is bonded in a single-bond geometry to one Cl1- atom. The N–Cl bond length is 1.53 Å. Cl1- is bonded in a bent 120 degrees geometry to two equivalent N1+ atoms. In the PrCl4 framework, Pr3+ is bonded to seven Cl1- atoms to form a mixture of edge and corner-sharing PrCl7 pentagonal bipyramids. There are a spread of Pr–Cl bond distances ranging from 2.63–3.32 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a water-like geometry to two equivalent Pr3+ atoms. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Pr3+ atom. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to two equivalent Pr3+ atoms.
- 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:
- 1725291
- Report Number(s):
- mp-1209609
- Country of Publication:
- United States
- Language:
- English
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