DOI: 10.17188/1672207
title: Materials Data on Tm4Ga21Ni10 by Materials Project

description: Tm4Ni10Ga21 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 2-coordinate geometry to four Ni and eleven Ga atoms. There are two shorter (3.03 Å) and two longer (3.08 Å) Tm–Ni bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.86–3.43 Å. In the second Tm site, Tm is bonded in a 9-coordinate geometry to four Ni and ten Ga atoms. There are two shorter (3.03 Å) and two longer (3.12 Å) Tm–Ni bond lengths. There are a spread of Tm–Ga bond distances ranging from 2.91–3.21 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Tm, one Ni, and seven Ga atoms. The Ni–Ni bond length is 2.77 Å. There are a spread of Ni–Ga bond distances ranging from 2.47–2.56 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to nine Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.60 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Tm, one Ni, and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.41–2.56 Å. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Tm and eight Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.48–2.82 Å. In the fifth Ni site, Ni is bonded in a 9-coordinate geometry to two equivalent Tm and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.38–2.59 Å. There are eleven inequivalent Ga sites. In the first Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Tm, three Ni, and two Ga atoms. There are one shorter (2.61 Å) and one longer (2.82 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tm, four Ni, and five Ga atoms. There are two shorter (2.86 Å) and three longer (2.89 Å) Ga–Ga bond lengths. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tm, three equivalent Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.72–3.04 Å. In the fourth Ga site, Ga is bonded in a 1-coordinate geometry to one Tm, three Ni, and four Ga atoms. Both Ga–Ga bond lengths are 2.91 Å. In the fifth Ga site, Ga is bonded in a 5-coordinate geometry to two equivalent Tm, three Ni, and two Ga atoms. There are one shorter (2.70 Å) and one longer (2.83 Å) Ga–Ga bond lengths. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to three Tm, three Ni, and four Ga atoms. Both Ga–Ga bond lengths are 2.90 Å. In the seventh Ga site, Ga is bonded in a 10-coordinate geometry to one Tm, four Ni, and five Ga atoms. There are two shorter (2.76 Å) and one longer (2.84 Å) Ga–Ga bond lengths. In the eighth Ga site, Ga is bonded in a 3-coordinate geometry to one Tm, four Ni, and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.67–2.92 Å. In the ninth Ga site, Ga is bonded in a 5-coordinate geometry to two Tm, five Ni, and two Ga atoms. In the tenth Ga site, Ga is bonded in a 12-coordinate geometry to four equivalent Ni and eight Ga atoms. In the eleventh Ga site, Ga is bonded in a 12-coordinate geometry to three Tm, four Ni, and five Ga atoms.