DOI: 10.17188/1683953
title: Materials Data on Tb6Ga19Pt3 by Materials Project

description: Tb6Pt3Ga19 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Tb sites. In the first Tb site, Tb is bonded in a 12-coordinate geometry to two equivalent Pt and fourteen Ga atoms. Both Tb–Pt bond lengths are 3.58 Å. There are a spread of Tb–Ga bond distances ranging from 3.18–3.53 Å. In the second Tb site, Tb is bonded in a 12-coordinate geometry to two equivalent Pt and twelve Ga atoms. Both Tb–Pt bond lengths are 3.53 Å. There are a spread of Tb–Ga bond distances ranging from 3.14–3.27 Å. In the third Tb site, Tb is bonded in a 12-coordinate geometry to two Pt and eleven Ga atoms. There are one shorter (3.11 Å) and one longer (3.16 Å) Tb–Pt bond lengths. There are a spread of Tb–Ga bond distances ranging from 3.06–3.58 Å. In the fourth Tb site, Tb is bonded in a 12-coordinate geometry to one Pt and eleven Ga atoms. The Tb–Pt bond length is 3.10 Å. There are a spread of Tb–Ga bond distances ranging from 3.05–3.18 Å. In the fifth Tb site, Tb is bonded in a 12-coordinate geometry to one Pt and twelve Ga atoms. The Tb–Pt bond length is 3.11 Å. There are a spread of Tb–Ga bond distances ranging from 3.04–3.60 Å. In the sixth Tb site, Tb is bonded in a 12-coordinate geometry to two Pt and eleven Ga atoms. Both Tb–Pt bond lengths are 3.14 Å. There are a spread of Tb–Ga bond distances ranging from 3.06–3.58 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 12-coordinate geometry to four Tb and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–3.06 Å. In the second Pt site, Pt is bonded in a 12-coordinate geometry to four Tb and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.53–3.09 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to two Tb and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.58–2.95 Å. There are nineteen inequivalent Ga sites. In the first Ga site, Ga is bonded in a 2-coordinate geometry to three Tb, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.76 Å. In the second Ga site, Ga is bonded in a 2-coordinate geometry to three Tb, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.74 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Tb and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–3.02 Å. In the fourth Ga site, Ga is bonded in a 2-coordinate geometry to three Tb, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.65–2.75 Å. In the fifth Ga site, Ga is bonded in a 10-coordinate geometry to four Tb and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.62–3.02 Å. In the sixth Ga site, Ga is bonded in a 2-coordinate geometry to three Tb, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.66–2.74 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to three Tb, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.68–2.73 Å. In the eighth Ga site, Ga is bonded in a 2-coordinate geometry to four Tb, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.73 Å. In the ninth Ga site, Ga is bonded in a 9-coordinate geometry to four Tb and five Ga atoms. There are one shorter (2.50 Å) and one longer (2.64 Å) Ga–Ga bond lengths. In the tenth Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.52 Å. In the eleventh Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.53 Å. In the twelfth Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.50 Å. In the thirteenth Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Pt, and four Ga atoms. In the fourteenth Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Pt, and four Ga atoms. In the fifteenth Ga site, Ga is bonded in a 9-coordinate geometry to four Tb and five Ga atoms. The Ga–Ga bond length is 2.65 Å. In the sixteenth Ga site, Ga is bonded in a 1-coordinate geometry to four Tb, one Pt, and four Ga atoms. In the seventeenth Ga site, Ga is bonded in a 12-coordinate geometry to four Tb, two equivalent Pt, and four Ga atoms. In the eighteenth Ga site, Ga is bonded to four Tb, four Pt, and four Ga atoms to form face-sharing GaTb4Ga4Pt4 cuboctahedra. In the nineteenth Ga site, Ga is bonded in a 12-coordinate geometry to four Tb and six Ga atoms.