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DOE OSTI2020

Materials Data on Sc(BC)2 by Materials Project

ScB2C2 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sc2+ is bonded in a 6-coordinate geometry to six C4- atoms. There are a spread of Sc–C bond distances ranging from 2.43–2.53 Å. There are two inequivalent B3+ sites. In the first B3+ site, B3+ is bonded in a trigonal planar geometry to three C4- atoms. There are a spread of B–C bond distances ranging from 1.55–1.64 Å. In the second B3+ site, B3+ is bonded in a water-like geometry to two C4- atoms. There is one shorter (1.55 Å) and one longer (1.62 Å) B–C bond length. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded in a 3-coordinate geometry to four equivalent Sc2+ and three B3+ atoms. In the second C4- site, C4- is bonded in a 2-coordinate geometry to two equivalent Sc2+, two B3+, and one C4- atom. The C–C bond length is 1.45 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Cryo-EM structures of engineered active bc 1- cbb 3 type CIII 2 CIV super-complexes and electronic communication between the complexes

Respiratory electron transport complexes are organized as individual entities or combined as large supercomplexes (SC). Gram-negative bacteria deploy a mitochondrial-like cytochrome (cyt) bc 1 (Complex III, CIII 2 ), and may have specific cbb 3 -type cyt c oxidases (Complex IV, CIV) instead of the canonical aa 3 -type CIV. Electron transfer between these complexes is mediated by soluble ( c 2 ) and membrane-anchored ( c y ) cyts. Here, we report the structure of an engineered bc 1 - cbb 3 type SC (CIII 2 CIV, 5.2Å resolution) and three conformers of native CIII 2 (3.3 Å resolution). The SC is active in vivo and in vitro, contains all catalytic subunits and cofactors, and two extra transmembrane helices attributed to cyt c y and the assembly factor CcoH. The cyt c y is integral to SC, its cyt domain is mobile and it conveys electrons to CIV differently than cyt c 2 . The successful production of a native-like functional SC and determination of its structure illustrate the characteristics of membrane-confined and membrane-external respiratory electron transport pathways in Gram-negative bacteria.

42 ENGINEERING↗

DOE OSTI2025

Highly charged ion approach to measure nuclear charge radii of Fr, Ra, and Rn isotopes for precision measurements

Conventional electron scattering and muonic atom spectroscopy techniques are challenging to apply to heavy ions unless the element has at least one stable or extremely long-lived isotope. To overcome this limitation, a recently introduced method for determining nuclear charge radii relies on extreme-ultraviolet (EUV) spectroscopy of the D 1 line in highly charged Na-like ions. In this work, we present an experimental approach to measure the nuclear charge radii of isotopes of radioactive elements such as Fr, Ra, and Rn using this method at TRIUMF’s Ion Trap for Atomic and Nuclear Science (TITAN) instrument, located at the ISAC radioactive beam facility. We also explore the potential of using Na-like D 2 lines in the soft x-ray region for future measurements.

Electron beam ion trap↗