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Materials Data on ScB4Ir3 by Materials Project

ScIr3B4 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sc3+ is bonded in a 9-coordinate geometry to nine equivalent B3- atoms. There are three shorter (2.60 Å) and six longer (2.61 Å) Sc–B bond lengths. Ir3+ is bonded in a 6-coordinate geometry to six B3- atoms. There are a spread of Ir–B bond distances ranging from 2.16–2.44 Å. There are two inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to three equivalent Sc3+, four equivalent Ir3+, and two equivalent B3- atoms. Both B–B bond lengths are 2.17 Å. In the second B3- site, B3- is bonded in a body-centered cubic geometry to six equivalent Ir3+ and two equivalent B3- atoms. Both B–B bond lengths are 1.73 Å.

36 MATERIALS SCIENCE↗

Materials Data on ScB2Ir3 by Materials Project

ScIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Sc is bonded in a 12-coordinate geometry to two equivalent Sc, twelve equivalent Ir, and six equivalent B atoms. Both Sc–Sc bond lengths are 3.06 Å. All Sc–Ir bond lengths are 3.13 Å. All Sc–B bond lengths are 3.16 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Sc and four equivalent B atoms. All Ir–B bond lengths are 2.20 Å. B is bonded in a 6-coordinate geometry to three equivalent Sc and six equivalent Ir atoms.

36 MATERIALS SCIENCE↗