Materials Data on Sm4Ga7Ag5 by Materials Project

Abstract

Sm4Ag5Ga7 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Sm sites. In the first Sm site, Sm is bonded in a 11-coordinate geometry to six Ag and eight Ga atoms. There are a spread of Sm–Ag bond distances ranging from 3.07–3.51 Å. There are a spread of Sm–Ga bond distances ranging from 3.06–3.48 Å. In the second Sm site, Sm is bonded in a 11-coordinate geometry to six Ag and eight Ga atoms. There are a spread of Sm–Ag bond distances ranging from 3.26–3.51 Å. There are a spread of Sm–Ga bond distances ranging from 3.06–3.49 Å. In the third Sm site, Sm is bonded in a 11-coordinate geometry to five Ag and nine Ga atoms. There are a spread of Sm–Ag bond distances ranging from 3.27–3.50 Å. There are a spread of Sm–Ga bond distances ranging from 3.05–3.47 Å. In the fourth Sm site, Sm is bonded in a 11-coordinate geometry to seven Ag and seven Ga atoms. There are a spread of Sm–Ag bond distances ranging from 3.11–3.51 Å. There are a spread of Sm–Ga bond distances ranging from 3.06–3.49 Å. There are five inequivalent Ag sites. In the first Ag site, Ag is bonded in a 12-coordinate geometry to five Sm, two equivalent Ag, and five Ga atoms. Both Ag–Ag bond lengths are 3.06 Å. There are a spread of Ag–Ga bond distances ranging from 2.73–2.94 Å. In the second Ag site, Ag is bonded in a 12-coordinate geometry to five Sm, three Ag, and four Ga atoms. There are one shorter (2.83 Å) and two longer (3.08 Å) Ag–Ag bond lengths. There are a spread of Ag–Ga bond distances ranging from 2.72–2.93 Å. In the third Ag site, Ag is bonded in a 12-coordinate geometry to five Sm, two equivalent Ag, and five Ga atoms. There are a spread of Ag–Ga bond distances ranging from 2.73–2.94 Å. In the fourth Ag site, Ag is bonded in a 12-coordinate geometry to five Sm, four Ag, and three Ga atoms. Both Ag–Ag bond lengths are 2.95 Å. There are a spread of Ag–Ga bond distances ranging from 2.72–2.79 Å. In the fifth Ag site, Ag is bonded in a 10-coordinate geometry to four Sm, three Ag, and three Ga atoms. There are two shorter (2.66 Å) and one longer (2.79 Å) Ag–Ga bond lengths. There are seven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to five Sm, two Ag, and three Ga atoms. There are two shorter (2.67 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 10-coordinate geometry to five Sm, three Ag, and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to five Sm, two Ag, and three Ga atoms. There are two shorter (2.67 Å) and one longer (2.81 Å) Ga–Ga bond lengths. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to five Sm, four Ag, and one Ga atom. The Ga–Ga bond length is 2.79 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to four Sm, three Ag, and three Ga atoms. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to four Sm, three Ag, and three Ga atoms. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to four Sm, three Ag, and three Ga atoms.