Materials Data on KP by Materials Project

Abstract

PK1 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six P1- atoms. There are a spread of K–P bond distances ranging from 3.24–3.67 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five P1- atoms. There are a spread of K–P bond distances ranging from 3.20–3.34 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 7-coordinate geometry to five K1+ and two equivalent P1- atoms. There are one shorter (2.26 Å) and one longer (2.28 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent P1- atoms.