Materials Data on Yb15Mg5Ge16 by Materials Project
Mg5Yb15Ge16 is Magnesium tetraboride-derived structured and crystallizes in the monoclinic Pc space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.81–3.15 Å. In the second Mg site, Mg is bonded in a distorted rectangular see-saw-like geometry to four Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.85–2.94 Å. In the third Mg site, Mg is bonded in a 4-coordinate geometry to six Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.80–3.19 Å. In the fourth Mg site, Mg is bonded in a distorted rectangular see-saw-like geometry to four Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.79–3.00 Å. In the fifth Mg site, Mg is bonded in a 4-coordinate geometry to four Ge atoms. There are a spread of Mg–Ge bond distances ranging from 2.79–3.10 Å. There are fifteen inequivalent Yb sites. In the first Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.08–3.33 Å. In the second Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.09–3.42 Å. In the third Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.05–3.56 Å. In the fourth Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.06–3.50 Å. In the fifth Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.96–3.11 Å. In the sixth Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.94–3.10 Å. In the seventh Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.94–3.13 Å. In the eighth Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.96–3.10 Å. In the ninth Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.89–3.04 Å. In the tenth Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.93–3.11 Å. In the eleventh Yb site, Yb is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.95–3.06 Å. In the twelfth Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.06–3.46 Å. In the thirteenth Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 2.99–3.44 Å. In the fourteenth Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.04–3.27 Å. In the fifteenth Yb site, Yb is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Yb–Ge bond distances ranging from 3.03–3.30 Å. There are sixteen inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to two Mg, five Yb, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the second Ge site, Ge is bonded in a 8-coordinate geometry to two Mg, five Yb, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to one Mg, seven Yb, and one Ge atom. The Ge–Ge bond length is 2.54 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six Yb, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the fifth Ge site, Ge is bonded in a 8-coordinate geometry to seven Yb and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the sixth Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Yb, and one Ge atom. The Ge–Ge bond length is 2.50 Å. In the seventh Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Yb, and one Ge atom. The Ge–Ge bond length is 2.55 Å. In the eighth Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Yb, and one Ge atom. The Ge–Ge bond length is 2.52 Å. In the ninth Ge site, Ge is bonded in a 9-coordinate geometry to three Mg, five Yb, and one Ge atom. In the tenth Ge site, Ge is bonded in a 9-coordinate geometry to two Mg, six Yb, and one Ge atom. In the eleventh Ge site, Ge is bonded in a 8-coordinate geometry to seven Yb and one Ge atom. In the twelfth Ge site, Ge is bonded in a 9-coordinate geometry to one Mg, seven Yb, and one Ge atom. In the thirteenth Ge site, Ge is bonded in a 9-coordinate geometry to one Mg, seven Yb, and one Ge atom. In the fourteenth Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six Yb, and one Ge atom. In the fifteenth Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six Yb, and one Ge atom. In the sixteenth Ge site, Ge is bonded in a 8-coordinate geometry to one Mg, six Yb, and one Ge atom.