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DOE OSTI2020

Materials Data on ErB2Ir3 by Materials Project

ErIr3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to two equivalent Er, twelve equivalent Ir, and six equivalent B atoms. Both Er–Er bond lengths are 3.14 Å. All Er–Ir bond lengths are 3.15 Å. All Er–B bond lengths are 3.15 Å. Ir is bonded in a distorted square co-planar geometry to four equivalent Er and four equivalent B atoms. All Ir–B bond lengths are 2.22 Å. B is bonded in a 6-coordinate geometry to three equivalent Er and six equivalent Ir atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Er(BIr)4 by Materials Project

Er(IrB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Er is bonded in a 12-coordinate geometry to twelve equivalent Ir and twelve equivalent B atoms. There are four shorter (2.97 Å) and eight longer (3.21 Å) Er–Ir bond lengths. There are eight shorter (3.08 Å) and four longer (3.13 Å) Er–B bond lengths. Ir is bonded in a 5-coordinate geometry to three equivalent Er and five equivalent B atoms. There are a spread of Ir–B bond distances ranging from 2.22–2.27 Å. B is bonded in a 6-coordinate geometry to three equivalent Er, five equivalent Ir, and one B atom. The B–B bond length is 1.87 Å.

36 MATERIALS SCIENCE↗