DOI: 10.17188/1739605
title: Materials Data on Tb14Ag51 by Materials Project

description: Ag51Tb14 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 Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to fourteen Ag atoms. There are a spread of Tb–Ag bond distances ranging from 3.12–3.43 Å. In the second Tb site, Tb is bonded in a 8-coordinate geometry to fourteen Ag atoms. There are a spread of Tb–Ag bond distances ranging from 3.10–3.36 Å. In the third Tb site, Tb is bonded in a 4-coordinate geometry to fourteen Ag atoms. There are a spread of Tb–Ag bond distances ranging from 3.13–3.54 Å. In the fourth Tb site, Tb is bonded in a 12-coordinate geometry to fourteen Ag atoms. There are a spread of Tb–Ag bond distances ranging from 3.00–3.41 Å. In the fifth Tb site, Tb is bonded in a 6-coordinate geometry to fifteen Ag atoms. There are a spread of Tb–Ag bond distances ranging from 3.13–3.32 Å. There are thirteen inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to three equivalent Tb and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.80–2.95 Å. In the second Ag site, Ag is bonded to four Tb and eight Ag atoms to form a mixture of edge and face-sharing AgTb4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.76–2.94 Å. In the third Ag site, Ag is bonded to four Tb and eight Ag atoms to form a mixture of edge and face-sharing AgTb4Ag8 cuboctahedra. There are a spread of Ag–Ag bond distances ranging from 2.82–2.93 Å. In the fourth Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent Tb and eight Ag atoms. All Ag–Ag bond lengths are 2.95 Å. In the fifth Ag site, Ag is bonded in a 11-coordinate geometry to four Tb and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.82–3.13 Å. In the sixth Ag site, Ag is bonded in a 11-coordinate geometry to three equivalent Tb and eight Ag atoms. There are two shorter (2.80 Å) and six longer (2.93 Å) Ag–Ag bond lengths. In the seventh Ag site, Ag is bonded in a 12-coordinate geometry to four Tb and eight Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.79–3.10 Å. In the eighth Ag site, Ag is bonded in a 11-coordinate geometry to four Tb and seven Ag atoms. There are a spread of Ag–Ag bond distances ranging from 2.82–3.11 Å. In the ninth Ag site, Ag is bonded in a 12-coordinate geometry to four Tb and eight Ag atoms. There are one shorter (2.82 Å) and one longer (2.98 Å) Ag–Ag bond lengths. In the tenth Ag site, Ag is bonded in a 11-coordinate geometry to four Tb and seven Ag atoms. There are one shorter (2.87 Å) and one longer (3.07 Å) Ag–Ag bond lengths. In the eleventh Ag site, Ag is bonded in a 10-coordinate geometry to three equivalent Tb 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 Tb and seven Ag atoms. The Ag–Ag bond length is 2.87 Å. In the thirteenth Ag site, Ag is bonded in a 1-coordinate geometry to four Tb and six Ag atoms. Both Ag–Ag bond lengths are 2.84 Å.