Materials Data on NaP by Materials Project

Abstract

NaP crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 5-coordinate geometry to five P1- atoms. There are a spread of Na–P bond distances ranging from 2.88–3.02 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six P1- atoms. There are a spread of Na–P bond distances ranging from 2.94–3.10 Å. There are two inequivalent P1- sites. In the first P1- site, P1- is bonded in a 8-coordinate geometry to six Na1+ and two equivalent P1- atoms. There are one shorter (2.23 Å) and one longer (2.26 Å) P–P bond lengths. In the second P1- site, P1- is bonded in a 7-coordinate geometry to five Na1+ and two equivalent P1- atoms.