Materials Data on PmCd3 by Materials Project

Abstract

PmCd3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pm is bonded to twelve Cd atoms to form a mixture of face and corner-sharing PmCd12 cuboctahedra. There are six shorter (3.23 Å) and six longer (3.38 Å) Pm–Cd bond lengths. There are three inequivalent Cd sites. In the first Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Pm and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.15–3.49 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Pm and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.15–3.49 Å. In the third Cd site, Cd is bonded in a 12-coordinate geometry to four equivalent Pm and eight Cd atoms.