Materials Data on CaAgP by Materials Project

Abstract

CaAgP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ca2+ is bonded in a 5-coordinate geometry to five P3- atoms. There are one shorter (2.91 Å) and four longer (3.00 Å) Ca–P bond lengths. Ag1+ is bonded in a 4-coordinate geometry to four P3- atoms. There are two shorter (2.69 Å) and two longer (2.76 Å) Ag–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Ca2+ and six equivalent Ag1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Ca2+ and three equivalent Ag1+ atoms.