Materials Data on Ho14Ag51 by Materials Project

Abstract

Ag51Ho14 is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are five inequivalent Ho sites. In the first Ho site, Ho is bonded in a 12-coordinate geometry to fourteen Ag atoms. There are a spread of Ho–Ag bond distances ranging from 3.09–3.43 Å. In the second Ho site, Ho is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Ho–Ag bond distances ranging from 3.07–3.36 Å. In the third Ho site, Ho is bonded in a 4-coordinate geometry to fourteen Ag atoms. There are a spread of Ho–Ag bond distances ranging from 3.11–3.52 Å. In the fourth Ho site, Ho is bonded in a 12-coordinate geometry to fourteen Ag atoms. There are a spread of Ho–Ag bond distances ranging from 2.98–3.40 Å. In the fifth Ho site, Ho is bonded in a 6-coordinate geometry to fifteen Ag atoms. There are a spread of Ho–Ag bond distances ranging from 3.11–3.31 Å. There are thirteen inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to three equivalent Ho and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.80–2.94 Å. In the second Ag site, Ag is bonded to four Ho and eight Ag atoms to form a mixture of edge and face-sharing AgHo4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.75–2.92 Å. In the third Ag site, Ag is bonded to four Ho and eight Ag atoms to form a mixture of edge and face-sharing AgHo4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.82–2.92 Å. In the fourth Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent Ho and eight Ag atoms. All Ag–Ag bond lengths are 2.94 Å. In the fifth Ag site, Ag is bonded in a 11-coordinate geometry to four Ho and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.81–3.11 Å. In the sixth Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent Ho and eight Ag atoms. There are two shorter (2.80 Å) and six longer (2.92 Å) Ag–Ag bond lengths. In the seventh Ag site, Ag is bonded in a 12-coordinate geometry to four Ho and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.77–3.08 Å. In the eighth Ag site, Ag is bonded in a 11-coordinate geometry to four Ho and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.81–3.10 Å. In the ninth Ag site, Ag is bonded in a 12-coordinate geometry to four Ho and eight Ag atoms. There are one shorter (2.80 Å) and one longer (2.97 Å) Ag–Ag bond lengths. In the tenth Ag site, Ag is bonded in a 11-coordinate geometry to four Ho and seven Ag atoms. There are one shorter (2.85 Å) and one longer (3.06 Å) Ag–Ag bond lengths. In the eleventh Ag site, Ag is bonded in a 10-coordinate geometry to three equivalent Ho and seven Ag atoms. All Ag–Ag bond lengths are 2.90 Å. In the twelfth Ag site, Ag is bonded in a 11-coordinate geometry to four Ho and seven Ag atoms. The Ag–Ag bond length is 2.85 Å. In the thirteenth Ag site, Ag is bonded in a 1-coordinate geometry to four Ho and six Ag atoms. Both Ag–Ag bond lengths are 2.83 Å.