Materials Data on Na by Materials Project

Abstract

Na is alpha structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are four inequivalent Na sites. In the first Na site, Na is bonded in a 12-coordinate geometry to sixteen Na atoms. There are twelve shorter (4.03 Å) and four longer (4.11 Å) Na–Na bond lengths. In the second Na site, Na is bonded in a 3-coordinate geometry to ten Na atoms. There are three shorter (3.67 Å) and six longer (3.97 Å) Na–Na bond lengths. In the third Na site, Na is bonded in a 11-coordinate geometry to eleven Na atoms. There are a spread of Na–Na bond distances ranging from 3.38–3.83 Å. In the fourth Na site, Na is bonded to twelve Na atoms to form a mixture of distorted face, edge, and corner-sharing NaNa12 cuboctahedra. There are two shorter (3.79 Å) and four longer (3.94 Å) Na–Na bond lengths.