DOI: 10.17188/1688011
title: Materials Data on Tm3(AgPb2)2 by Materials Project

description: TmAgPbTm2AgPb3 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Tm2AgPb3 sheet oriented in the (0, 0, 1) direction and one TmAgPb sheet oriented in the (0, 0, 1) direction. In the Tm2AgPb3 sheet, there are four inequivalent Tm sites. In the first Tm site, Tm is bonded in a 9-coordinate geometry to three equivalent Ag and six Pb atoms. All Tm–Ag bond lengths are 3.29 Å. There are three shorter (3.24 Å) and three longer (3.33 Å) Tm–Pb bond lengths. In the second Tm site, Tm is bonded in a 9-coordinate geometry to three equivalent Ag and six Pb atoms. All Tm–Ag bond lengths are 3.25 Å. There are three shorter (3.25 Å) and three longer (3.41 Å) Tm–Pb bond lengths. In the third Tm site, Tm is bonded in a 9-coordinate geometry to three equivalent Ag and six Pb atoms. All Tm–Ag bond lengths are 3.47 Å. There are three shorter (3.26 Å) and three longer (3.42 Å) Tm–Pb bond lengths. In the fourth Tm site, Tm is bonded in a 9-coordinate geometry to three equivalent Ag and nine Pb atoms. All Tm–Ag bond lengths are 3.53 Å. There are a spread of Tm–Pb bond distances ranging from 3.29–3.98 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to six Tm and four Pb atoms. There are three shorter (2.86 Å) and one longer (3.16 Å) Ag–Pb bond lengths. In the second Ag site, Ag is bonded in a 10-coordinate geometry to six Tm and four Pb atoms. There are three shorter (2.87 Å) and one longer (3.10 Å) Ag–Pb bond lengths. There are six inequivalent Pb sites. In the first Pb site, Pb is bonded in a 3-coordinate geometry to six Tm and three equivalent Ag atoms. In the second Pb site, Pb is bonded in a 9-coordinate geometry to six Tm and three equivalent Ag atoms. In the third Pb site, Pb is bonded in a 3-coordinate geometry to three equivalent Tm atoms. In the fourth Pb site, Pb is bonded in a 3-coordinate geometry to three equivalent Tm and three equivalent Pb atoms. All Pb–Pb bond lengths are 3.07 Å. In the fifth Pb site, Pb is bonded in a 10-coordinate geometry to six Tm, one Ag, and three equivalent Pb atoms. In the sixth Pb site, Pb is bonded in a 4-coordinate geometry to three equivalent Tm and one Ag atom. In the TmAgPb sheet, there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 9-coordinate geometry to six Ag and three equivalent Pb atoms. All Tm–Ag bond lengths are 3.27 Å. All Tm–Pb bond lengths are 3.25 Å. In the second Tm site, Tm is bonded in a 9-coordinate geometry to six Ag and three equivalent Pb atoms. All Tm–Ag bond lengths are 3.26 Å. All Tm–Pb bond lengths are 3.26 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 10-coordinate geometry to six Tm, three equivalent Ag, and one Pb atom. All Ag–Ag bond lengths are 2.85 Å. The Ag–Pb bond length is 3.15 Å. In the second Ag site, Ag is bonded in a 10-coordinate geometry to six Tm, three equivalent Ag, and one Pb atom. The Ag–Pb bond length is 3.15 Å. There are two inequivalent Pb sites. In the first Pb site, Pb is bonded in a 10-coordinate geometry to three equivalent Tm and one Ag atom. In the second Pb site, Pb is bonded in a 7-coordinate geometry to three equivalent Tm and one Ag atom.