Materials Data on Dy6Ga19Pt3 by Materials Project

Abstract

Dy6Pt3Ga19 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are six inequivalent Dy sites. In the first Dy site, Dy is bonded to fourteen Ga atoms to form distorted DyGa14 cuboctahedra that share corners with two equivalent GaDy4Ga6Pt2 cuboctahedra, an edgeedge with one GaDy4Ga4Pt4 cuboctahedra, a faceface with one GaDy4Ga6Pt2 cuboctahedra, and faces with two equivalent DyGa14 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.10–3.59 Å. In the second Dy site, Dy is bonded to twelve Ga atoms to form distorted DyGa12 cuboctahedra that share edges with two GaDy4Ga6Pt2 cuboctahedra and faces with two equivalent DyGa12 cuboctahedra. There are a spread of Dy–Ga bond distances ranging from 3.09–3.26 Å. In the third Dy site, Dy is bonded in a 2-coordinate geometry to two Pt and twelve Ga atoms. There are one shorter (3.05 Å) and one longer (3.07 Å) Dy–Pt bond lengths. There are a spread of Dy–Ga bond distances ranging from 3.10–3.37 Å. In the fourth Dy site, Dy is bonded in a 2-coordinate geometry to one Pt and thirteen Ga atoms. The Dy–Pt bond length is 3.03 Å. There are a spread of Dy–Ga bond distances ranging from 3.00–3.49 Å. In the fifth Dy site, Dy is bonded in a 12-coordinate geometry to one Pt and thirteen Ga atoms. The Dy–Pt bond length is 3.03 Å. There are a spread of Dy–Ga bond distances ranging from 3.01–3.50 Å. In the sixth Dy site, Dy is bonded in a 2-coordinate geometry to two Pt and twelve Ga atoms. There are one shorter (3.03 Å) and one longer (3.04 Å) Dy–Pt bond lengths. There are a spread of Dy–Ga bond distances ranging from 3.09–3.44 Å. There are three inequivalent Pt sites. In the first Pt site, Pt is bonded in a 10-coordinate geometry to two Dy and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.56–2.91 Å. In the second Pt site, Pt is bonded in a 10-coordinate geometry to two Dy and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.53–2.93 Å. In the third Pt site, Pt is bonded in a 10-coordinate geometry to two Dy and eight Ga atoms. There are a spread of Pt–Ga bond distances ranging from 2.53–2.94 Å. There are nineteen inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to four Dy, 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 second Ga site, Ga is bonded in a 10-coordinate geometry to four Dy, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.70 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to four Dy and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–2.85 Å. In the fourth Ga site, Ga is bonded in a 10-coordinate geometry to four Dy, 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 fifth Ga site, Ga is bonded in a 10-coordinate geometry to four Dy and six Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.85 Å. In the sixth Ga site, Ga is bonded in a 10-coordinate geometry to four Dy, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.61–2.71 Å. In the seventh Ga site, Ga is bonded in a 2-coordinate geometry to four Dy, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.64–2.70 Å. In the eighth Ga site, Ga is bonded in a 10-coordinate geometry to four Dy, two equivalent Pt, and four Ga atoms. There are a spread of Ga–Ga bond distances ranging from 2.63–2.71 Å. In the ninth Ga site, Ga is bonded in a 9-coordinate geometry to four Dy and five Ga atoms. There are one shorter (2.51 Å) and one longer (2.59 Å) Ga–Ga bond lengths. In the tenth Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.48 Å. In the eleventh Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.49 Å. In the twelfth Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Pt, and four Ga atoms. The Ga–Ga bond length is 2.47 Å. In the thirteenth Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Pt, and four Ga atoms. In the fourteenth Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Pt, and four Ga atoms. In the fifteenth Ga site, Ga is bonded in a 9-coordinate geometry to four Dy and five Ga atoms. The Ga–Ga bond length is 2.58 Å. In the sixteenth Ga site, Ga is bonded in a 1-coordinate geometry to four Dy, one Pt, and four Ga atoms. In the seventeenth Ga site, Ga is bonded to four Dy, two equivalent Pt, and six Ga atoms to form distorted GaDy4Ga6Pt2 cuboctahedra that share corners with two equivalent DyGa14 cuboctahedra, an edgeedge with one DyGa12 cuboctahedra, a faceface with one DyGa14 cuboctahedra, and faces with two equivalent GaDy4Ga6Pt2 cuboctahedra. Both Ga–Ga bond lengths are 3.01 Å. In the eighteenth Ga site, Ga is bonded to four Dy, four Pt, and four Ga atoms to form GaDy4Ga4Pt4 cuboctahedra that share edges with two DyGa14 cuboctahedra and faces with two equivalent GaDy4Ga4Pt4 cuboctahedra. In the nineteenth Ga site, Ga is bonded in a 12-coordinate geometry to four Dy and eight Ga atoms.