Materials Data on Tm3ReB7 by Materials Project
Tm3ReB7 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tm–B bond distances ranging from 2.61–2.72 Å. In the second Tm3+ site, Tm3+ is bonded in a 11-coordinate geometry to eleven B+2.14- atoms. There are a spread of Tm–B bond distances ranging from 2.62–3.28 Å. Re6+ is bonded in a 10-coordinate geometry to ten B+2.14- atoms. There are six shorter (2.32 Å) and four longer (2.34 Å) Re–B bond lengths. There are four inequivalent B+2.14- sites. In the first B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to five Tm3+, two equivalent Re6+, and two equivalent B+2.14- atoms. Both B–B bond lengths are 1.77 Å. In the second B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to six Tm3+ and three B+2.14- atoms. There is one shorter (1.83 Å) and two longer (1.98 Å) B–B bond length. In the third B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four Tm3+, two equivalent Re6+, and three B+2.14- atoms. There is one shorter (1.83 Å) and one longer (1.85 Å) B–B bond length. In the fourth B+2.14- site, B+2.14- is bonded in a 9-coordinate geometry to four equivalent Tm3+, two equivalent Re6+, and three B+2.14- atoms. The B–B bond length is 1.86 Å.