Materials Data on P3NCl12 by Materials Project

Kristin Persson
P2NCl6PCl6 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of eight P2NCl6 clusters and eight PCl6 clusters. In each P2NCl6 cluster, there are two inequivalent P5+ sites. In the first P5+ site, P5+ is bonded to one N3- and three Cl1- atoms to form corner-sharing PNCl3 tetrahedra. The P–N bond length is 1.57 Å. There are a spread of P–Cl bond distances ranging from 1.97–1.99 Å. In the second P5+...
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