Materials Data on Tm7Mg3Ge8 by Materials Project

Abstract

Mg3Tm7Ge8 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to five Ge atoms to form distorted corner-sharing MgGe5 square pyramids. There are a spread of Mg–Ge bond distances ranging from 2.73–3.08 Å. In the second Mg site, Mg is bonded in a 5-coordinate geometry to five Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.70–3.09 Å. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.78–3.04 Å. There are seven inequivalent Tm sites. In the first Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.94–3.23 Å. In the second Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.93–3.25 Å. In the third Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.94–3.24 Å. In the fourth Tm site, Tm is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.95–3.25 Å. In the fifth Tm site, Tm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.82–3.03 Å. In the sixth Tm site, Tm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.82–3.02 Å. In the seventh Tm site, Tm is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Tm–Ge bond distances ranging from 2.81–3.02 Å. There are eight inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to three Mg, four Tm, and one Ge atom. The Ge–Ge bond length is 2.58 Å. In the second Ge site, Ge is bonded in a 5-coordinate geometry to one Mg, six Tm, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to three Mg, five Tm, and one Ge atom. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Mg, six Tm, and one Ge atom. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Tm, and one Ge atom. The Ge–Ge bond length is 2.69 Å. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Tm, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Tm, and one Ge atom. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to one Mg, seven Tm, and one Ge atom.