DOI: 10.17188/1675550
title: Materials Data on Li2Mg10B12Rh19 by Materials Project

description: Li2Mg10Rh19B12 is Magnesium tetraboride-derived structured and crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Li is bonded in a 9-coordinate geometry to one Li, six Rh, and two B atoms. The Li–Li bond length is 2.39 Å. There are a spread of Li–Rh bond distances ranging from 2.58–2.72 Å. There are one shorter (2.42 Å) and one longer (2.43 Å) Li–B bond lengths. There are seven inequivalent Mg sites. In the first Mg site, Mg is bonded in a 6-coordinate geometry to two Mg and four Rh atoms. Both Mg–Mg bond lengths are 2.72 Å. There are two shorter (2.62 Å) and two longer (3.02 Å) Mg–Rh bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to ten Rh and three B atoms. There are a spread of Mg–Rh bond distances ranging from 2.72–2.98 Å. There are a spread of Mg–B bond distances ranging from 2.70–2.83 Å. In the third Mg site, Mg is bonded in a 5-coordinate geometry to four Mg, six Rh, and one B atom. There are one shorter (2.78 Å) and two longer (2.88 Å) Mg–Mg bond lengths. There are a spread of Mg–Rh bond distances ranging from 2.64–3.01 Å. The Mg–B bond length is 2.66 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to three Mg, eight Rh, and three B atoms. Both Mg–Mg bond lengths are 2.88 Å. There are a spread of Mg–Rh bond distances ranging from 2.68–2.84 Å. There are a spread of Mg–B bond distances ranging from 2.70–2.77 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to three Mg, eight Rh, and three B atoms. Both Mg–Mg bond lengths are 2.88 Å. There are a spread of Mg–Rh bond distances ranging from 2.61–2.95 Å. There are a spread of Mg–B bond distances ranging from 2.55–2.81 Å. In the sixth Mg site, Mg is bonded in a 12-coordinate geometry to three Mg, eight Rh, and three B atoms. There are one shorter (2.72 Å) and two longer (2.88 Å) Mg–Mg bond lengths. There are a spread of Mg–Rh bond distances ranging from 2.61–2.95 Å. There are a spread of Mg–B bond distances ranging from 2.55–2.81 Å. In the seventh Mg site, Mg is bonded in a 12-coordinate geometry to three Mg, eight Rh, and three B atoms. There are one shorter (2.72 Å) and two longer (2.88 Å) Mg–Mg bond lengths. There are a spread of Mg–Rh bond distances ranging from 2.61–2.95 Å. There are a spread of Mg–B bond distances ranging from 2.55–2.81 Å. There are ten inequivalent Rh sites. In the first Rh site, Rh is bonded in a distorted body-centered cubic geometry to four Mg and four B atoms. There are two shorter (2.23 Å) and two longer (2.24 Å) Rh–B bond lengths. In the second Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Li, two equivalent Mg, and four B atoms. There are two shorter (2.20 Å) and two longer (2.23 Å) Rh–B bond lengths. In the third Rh site, Rh is bonded in a 8-coordinate geometry to four Mg and four B atoms. There are two shorter (2.18 Å) and two longer (2.26 Å) Rh–B bond lengths. In the fourth Rh site, Rh is bonded in a distorted body-centered cubic geometry to two equivalent Li, two equivalent Mg, and four B atoms. There are two shorter (2.20 Å) and two longer (2.21 Å) Rh–B bond lengths. In the fifth Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Li, two equivalent Mg, and four B atoms. There are two shorter (2.20 Å) and two longer (2.21 Å) Rh–B bond lengths. In the sixth Rh site, Rh is bonded in a 8-coordinate geometry to four Mg and four B atoms. There are two shorter (2.20 Å) and two longer (2.22 Å) Rh–B bond lengths. In the seventh Rh site, Rh is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent B atoms. All Rh–B bond lengths are 2.22 Å. In the eighth Rh site, Rh is bonded in a 2-coordinate geometry to eight Mg and two equivalent B atoms. Both Rh–B bond lengths are 2.16 Å. In the ninth Rh site, Rh is bonded in a distorted body-centered cubic geometry to four Mg and four B atoms. There are two shorter (2.21 Å) and two longer (2.25 Å) Rh–B bond lengths. In the tenth Rh site, Rh is bonded in a 4-coordinate geometry to four Mg and four B atoms. There are two shorter (2.20 Å) and two longer (2.31 Å) Rh–B bond lengths. There are eight inequivalent B sites. In the first B site, B is bonded in a 8-coordinate geometry to two Mg and six Rh atoms. In the second B site, B is bonded in a 8-coordinate geometry to two Mg and six Rh atoms. The B–Mg bond length is 2.70 Å. There are a spread of B–Rh bond distances ranging from 2.16–2.31 Å. In the third B site, B is bonded in a 8-coordinate geometry to two Mg and six Rh atoms. The B–Mg bond length is 2.70 Å. There are a spread of B–Rh bond distances ranging from 2.16–2.31 Å. In the fourth B site, B is bonded in a 8-coordinate geometry to two Mg and six Rh atoms. In the fifth B site, B is bonded in a 7-coordinate geometry to one Li, two Mg, and six Rh atoms. In the sixth B site, B is bonded in a 7-coordinate geometry to one Li, one Mg, and six Rh atoms. In the seventh B site, B is bonded in a 7-coordinate geometry to one Mg and six Rh atoms. In the eighth B site, B is bonded in a 6-coordinate geometry to two Mg and six Rh atoms.