DOI: 10.17188/1283635
title: Materials Data on Na26Cd141 by Materials Project

description: Na26Cd141 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are four inequivalent Na sites. In the first Na site, Na is bonded in a 10-coordinate geometry to fourteen Cd atoms. There are a spread of Na–Cd bond distances ranging from 3.35–3.53 Å. In the second Na site, Na is bonded in a 10-coordinate geometry to fourteen Cd atoms. There are a spread of Na–Cd bond distances ranging from 3.40–3.65 Å. In the third Na site, Na is bonded in a 9-coordinate geometry to seventeen Cd atoms. There are a spread of Na–Cd bond distances ranging from 3.33–3.78 Å. In the fourth Na site, Na is bonded in a 1-coordinate geometry to thirteen Cd atoms. There are a spread of Na–Cd bond distances ranging from 3.17–3.69 Å. There are sixteen inequivalent Cd sites. In the first Cd site, Cd is bonded in a 10-coordinate geometry to two equivalent Na and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.94–3.26 Å. In the second Cd site, Cd is bonded in a 12-coordinate geometry to three Na and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.98–3.51 Å. In the third Cd site, Cd is bonded in a 9-coordinate geometry to three equivalent Na and six equivalent Cd atoms. All Cd–Cd bond lengths are 3.09 Å. In the fourth Cd site, Cd is bonded in a 2-coordinate geometry to three Na and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.99–3.25 Å. In the fifth Cd site, Cd is bonded in a 10-coordinate geometry to ten Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.92–3.15 Å. In the sixth Cd site, Cd is bonded in a distorted linear geometry to two equivalent Na and six equivalent Cd atoms. All Cd–Cd bond lengths are 3.00 Å. In the seventh Cd site, Cd is bonded in a distorted q6 geometry to two equivalent Na and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.94–3.12 Å. In the eighth Cd site, Cd is bonded in a 11-coordinate geometry to three Na and eight Cd atoms. There are a spread of Cd–Cd bond distances ranging from 2.98–3.16 Å. In the ninth Cd site, Cd is bonded in a 12-coordinate geometry to three Na and nine Cd atoms. There are a spread of Cd–Cd bond distances ranging from 3.03–3.28 Å. In the tenth Cd site, Cd is bonded in a 10-coordinate geometry to ten Cd atoms. Both Cd–Cd bond lengths are 3.34 Å. In the eleventh Cd site, Cd is bonded to three Na and nine Cd atoms to form a mixture of distorted face and corner-sharing CdNa3Cd9 cuboctahedra. There are a spread of Cd–Cd bond distances ranging from 2.98–3.18 Å. In the twelfth Cd site, Cd is bonded in a 9-coordinate geometry to three Na and six Cd atoms. The Cd–Cd bond length is 3.01 Å. In the thirteenth Cd site, Cd is bonded to two equivalent Na and ten Cd atoms to form distorted CdNa2Cd10 cuboctahedra that share corners with four equivalent CdNa3Cd9 cuboctahedra and faces with two equivalent CdNa2Cd10 cuboctahedra. Both Cd–Cd bond lengths are 3.03 Å. In the fourteenth Cd site, Cd is bonded to four equivalent Na and eight Cd atoms to form a mixture of face and corner-sharing CdNa4Cd8 cuboctahedra. Both Cd–Cd bond lengths are 3.02 Å. In the fifteenth Cd site, Cd is bonded in a 12-coordinate geometry to three Na and nine Cd atoms. There are one shorter (2.95 Å) and one longer (3.25 Å) Cd–Cd bond lengths. In the sixteenth Cd site, Cd is bonded in a 2-coordinate geometry to four Na and eight Cd atoms.