Materials Data on PNCl2 by Materials Project

Dataset · Sat May 02 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1281809· OSTI ID:1281809

The Materials Project

PNCl2 is Titanium Disilicide-derived structured and crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of eight 14939-36-7 molecules. P5+ is bonded in a distorted trigonal planar geometry to one N3- and two Cl1- atoms. The P–N bond length is 1.50 Å. Both P–Cl bond lengths are 2.02 Å. N3- is bonded in a single-bond geometry to one P5+ atom. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one P5+ atom.

• Research Organization: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• Contributing Organization: MIT; UC Berkeley; Duke; U Louvain
• DOE Contract Number: AC02-05CH11231; EDCBEE
• OSTI ID: 1281809
• Report Number(s): mp-672260
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
PNCl2
Cl-N-P