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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrB4 by Materials Project

PrB4 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. Pr is bonded in a 8-coordinate geometry to eighteen B atoms. There are a spread of Pr–B bond distances ranging from 2.79–3.14 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four equivalent Pr and five B atoms. There is one shorter (1.70 Å) and four longer (1.78 Å) B–B bond length. In the second B site, B is bonded in a 9-coordinate geometry to four equivalent Pr and five B atoms. There is one shorter (1.77 Å) and two longer (1.83 Å) B–B bond length. In the third B site, B is bonded in a distorted trigonal planar geometry to six equivalent Pr and three B atoms. The B–B bond length is 1.81 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrB6 by Materials Project

PrB6 is Calcium hexaboride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All Pr–B bond lengths are 3.05 Å. B is bonded in a 1-coordinate geometry to four equivalent Pr and five equivalent B atoms. There is one shorter (1.66 Å) and four longer (1.76 Å) B–B bond length.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr2B5 by Materials Project

Pr2B5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Pr–B bond distances ranging from 2.72–3.27 Å. In the second Pr site, Pr is bonded in a 12-coordinate geometry to twelve B atoms. There are a spread of Pr–B bond distances ranging from 2.71–3.00 Å. There are five inequivalent B sites. In the first B site, B is bonded in a 9-coordinate geometry to four Pr and five B atoms. There are a spread of B–B bond distances ranging from 1.69–1.84 Å. In the second B site, B is bonded in a 2-coordinate geometry to six Pr and two B atoms. The B–B bond length is 1.62 Å. In the third B site, B is bonded in a 3-coordinate geometry to six Pr and three B atoms. There is two shorter (1.78 Å) and one longer (1.92 Å) B–B bond length. In the fourth B site, B is bonded in a 9-coordinate geometry to four Pr and five B atoms. There is one shorter (1.82 Å) and one longer (1.83 Å) B–B bond length. In the fifth B site, B is bonded in a 9-coordinate geometry to four Pr and five B atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrB3 by Materials Project

PrB3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pr3+ is bonded in a 12-coordinate geometry to twelve equivalent B1- atoms. There are six shorter (2.84 Å) and six longer (2.91 Å) Pr–B bond lengths. B1- is bonded in a 10-coordinate geometry to four equivalent Pr3+ and six equivalent B1- atoms. There is two shorter (1.80 Å) and four longer (2.02 Å) B–B bond length.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrB12 by Materials Project

PrB12 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Pr is bonded in a 1-coordinate geometry to twenty-four equivalent B atoms. All Pr–B bond lengths are 2.83 Å. B is bonded in a 7-coordinate geometry to two equivalent Pr and five equivalent B atoms. There is one shorter (1.76 Å) and four longer (1.81 Å) B–B bond length.

36 MATERIALS SCIENCE↗