Materials Data on Cd43Pd8 by Materials Project

Abstract

Pd8Cd43 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are four inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.90–3.10 Å. In the second Pd site, Pd is bonded in a 11-coordinate geometry to eleven Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.88–3.12 Å. In the third Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.87–3.10 Å. In the fourth Pd site, Pd is bonded in a distorted q6 geometry to twelve Cd atoms. There are a spread of Pd–Cd bond distances ranging from 2.89–3.14 Å. There are thirteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 3-coordinate geometry to three equivalent Pd and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.04 Å. In the second Cd site, Cd is bonded in a 3-coordinate geometry to three Pd and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.97–3.04 Å. In the third Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Pd and ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.87–3.53 Å. In the fourth Cd site, Cd is bonded in a 2-coordinate geometry to two equivalent Pd and eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.89–3.57 Å. In the fifth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.95–3.37 Å. In the sixth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and eleven Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.00–3.39 Å. In the seventh Cd site, Cd is bonded in a 11-coordinate geometry to three Pd and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.92–3.04 Å. In the eighth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Pd and four Cd atoms. In the ninth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Pd and five Cd atoms. In the tenth Cd site, Cd is bonded in a distorted bent 150 degrees geometry to two Pd and five Cd atoms. In the eleventh Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and five Cd atoms. In the twelfth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and five Cd atoms. In the thirteenth Cd site, Cd is bonded in a 2-coordinate geometry to two Pd and five Cd atoms.