Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “B-Rh-Sc”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sc3B2Rh5 by Materials Project

Sc3Rh5B2 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 11-coordinate geometry to ten Rh and three equivalent B atoms. There are a spread of Sc–Rh bond distances ranging from 2.82–2.98 Å. There are one shorter (2.73 Å) and two longer (2.87 Å) Sc–B bond lengths. In the second Sc site, Sc is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Sc–Rh bond lengths are 2.72 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to six Sc and two equivalent B atoms. Both Rh–B bond lengths are 2.20 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to four equivalent Sc and four equivalent B atoms. All Rh–B bond lengths are 2.27 Å. B is bonded in a 9-coordinate geometry to three equivalent Sc and six Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ScBRh3 by Materials Project

ScRh3B is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sc is bonded to twelve equivalent Rh atoms to form ScRh12 cuboctahedra that share corners with twelve equivalent ScRh12 cuboctahedra, faces with six equivalent ScRh12 cuboctahedra, and faces with eight equivalent BRh6 octahedra. All Sc–Rh bond lengths are 2.92 Å. Rh is bonded to four equivalent Sc and two equivalent B atoms to form a mixture of distorted face, edge, and corner-sharing RhSc4B2 octahedra. The corner-sharing octahedra tilt angles range from 0–60°. Both Rh–B bond lengths are 2.07 Å. B is bonded to six equivalent Rh atoms to form BRh6 octahedra that share corners with six equivalent BRh6 octahedra and faces with eight equivalent ScRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc5BRh15 by Materials Project

Sc5Rh15B crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are three inequivalent Sc sites. In the first Sc site, Sc is bonded to twelve Rh atoms to form ScRh12 cuboctahedra that share corners with twelve ScRh12 cuboctahedra, edges with four equivalent RhSc4Rh8 cuboctahedra, faces with six ScRh12 cuboctahedra, and faces with four equivalent BRh6 octahedra. There are a spread of Sc–Rh bond distances ranging from 2.80–2.86 Å. In the second Sc site, Sc is bonded to twelve Rh atoms to form ScRh12 cuboctahedra that share corners with twelve ScRh12 cuboctahedra, edges with four equivalent RhSc4Rh8 cuboctahedra, faces with four equivalent RhSc4Rh8 cuboctahedra, and faces with six ScRh12 cuboctahedra. There are a spread of Sc–Rh bond distances ranging from 2.77–2.85 Å. In the third Sc site, Sc is bonded to twelve Rh atoms to form ScRh12 cuboctahedra that share corners with twelve ScRh12 cuboctahedra, edges with eight equivalent RhSc4Rh8 cuboctahedra, faces with four equivalent RhSc4Rh8 cuboctahedra, and faces with six ScRh12 cuboctahedra. There are eight shorter (2.79 Å) and four longer (2.85 Å) Sc–Rh bond lengths. There are six inequivalent Rh sites. In the first Rh site, Rh is bonded in a 1-coordinate geometry to four equivalent Sc and one B atom. The Rh–B bond length is 2.10 Å. In the second Rh site, Rh is bonded to four equivalent Sc and eight Rh atoms to form distorted RhSc4Rh8 cuboctahedra that share corners with eight RhSc4Rh8 cuboctahedra, edges with eight ScRh12 cuboctahedra, faces with four equivalent ScRh12 cuboctahedra, and faces with five RhSc4Rh8 cuboctahedra. There are four shorter (2.77 Å) and four longer (2.81 Å) Rh–Rh bond lengths. In the third Rh site, Rh is bonded to four equivalent Sc and eight equivalent Rh atoms to form distorted RhSc4Rh8 cuboctahedra that share corners with twelve RhSc4Rh8 cuboctahedra, edges with eight equivalent ScRh12 cuboctahedra, faces with four equivalent ScRh12 cuboctahedra, and faces with six RhSc4Rh8 cuboctahedra. All Rh–Rh bond lengths are 2.79 Å. In the fourth Rh site, Rh is bonded to four equivalent Sc and two equivalent B atoms to form a mixture of distorted edge, corner, and face-sharing RhSc4B2 octahedra. The corner-sharing octahedral tilt angles are 0°. Both Rh–B bond lengths are 2.01 Å. In the fifth Rh site, Rh is bonded in a distorted square co-planar geometry to four Sc and two equivalent Rh atoms. In the sixth Rh site, Rh is bonded in a distorted square co-planar geometry to four Sc and four Rh atoms. B is bonded to six Rh atoms to form BRh6 octahedra that share corners with four equivalent BRh6 octahedra and faces with eight equivalent ScRh12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc4B12Rh17 by Materials Project

Sc4Rh17B12 is alpha Pu-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are four inequivalent Sc sites. In the first Sc site, Sc is bonded in a 12-coordinate geometry to twelve Rh and six B atoms. There are a spread of Sc–Rh bond distances ranging from 2.66–3.33 Å. There are a spread of Sc–B bond distances ranging from 2.70–2.89 Å. In the second Sc site, Sc is bonded in a 2-coordinate geometry to two B atoms. There are one shorter (2.53 Å) and one longer (2.56 Å) Sc–B bond lengths. In the third Sc site, Sc is bonded in a 3-coordinate geometry to twelve Rh and six B atoms. There are a spread of Sc–Rh bond distances ranging from 2.71–3.10 Å. There are a spread of Sc–B bond distances ranging from 2.67–2.99 Å. In the fourth Sc site, Sc is bonded in a 2-coordinate geometry to one Rh and one B atom. The Sc–Rh bond length is 2.71 Å. The Sc–B bond length is 2.63 Å. There are seventeen inequivalent Rh sites. In the first Rh site, Rh is bonded in a 4-coordinate geometry to four Sc and three B atoms. There are a spread of Rh–B bond distances ranging from 2.12–2.18 Å. In the second Rh site, Rh is bonded in a 4-coordinate geometry to one Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.15–2.36 Å. In the third Rh site, Rh is bonded in a 3-coordinate geometry to one Sc and three B atoms. There are a spread of Rh–B bond distances ranging from 2.14–2.17 Å. In the fourth Rh site, Rh is bonded in a 4-coordinate geometry to two equivalent Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.17–2.24 Å. In the fifth Rh site, Rh is bonded in a 4-coordinate geometry to four B atoms. There are a spread of Rh–B bond distances ranging from 2.14–2.24 Å. In the sixth Rh site, Rh is bonded in a 3-coordinate geometry to one Sc and three B atoms. There are a spread of Rh–B bond distances ranging from 2.11–2.16 Å. In the seventh Rh site, Rh is bonded in a 6-coordinate geometry to one Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.19–2.27 Å. In the eighth Rh site, Rh is bonded in a 4-coordinate geometry to two Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.11–2.18 Å. In the ninth Rh site, Rh is bonded in a 4-coordinate geometry to two Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.13–2.22 Å. In the tenth Rh site, Rh is bonded in a 5-coordinate geometry to two Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.14–2.33 Å. In the eleventh Rh site, Rh is bonded in a 5-coordinate geometry to two Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.12–2.36 Å. In the twelfth Rh site, Rh is bonded in a distorted trigonal pyramidal geometry to one Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.13–2.16 Å. In the thirteenth Rh site, Rh is bonded in a 4-coordinate geometry to one Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.11–2.19 Å. In the fourteenth Rh site, Rh is bonded in a 4-coordinate geometry to one Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.16–2.28 Å. In the fifteenth Rh site, Rh is bonded in a 6-coordinate geometry to two equivalent Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.16–2.42 Å. In the sixteenth Rh site, Rh is bonded in a 4-coordinate geometry to one Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.15–2.23 Å. In the seventeenth Rh site, Rh is bonded in a 4-coordinate geometry to one Sc and four B atoms. There are a spread of Rh–B bond distances ranging from 2.15–2.25 Å. There are twelve inequivalent B sites. In the first B site, B is bonded in a 7-coordinate geometry to one Sc and six Rh atoms. In the second B site, B is bonded in a 7-coordinate geometry to one Sc, five Rh, and one B atom. The B–B bond length is 1.87 Å. In the third B site, B is bonded in a 6-coordinate geometry to two equivalent Sc and six Rh atoms. In the fourth B site, B is bonded in a 6-coordinate geometry to five Rh and one B atom. In the fifth B site, B is bonded in a 8-coordinate geometry to two Sc and six Rh atoms. In the sixth B site, B is bonded in a 6-coordinate geometry to two Sc and five Rh atoms. In the seventh B site, B is bonded in a 6-coordinate geometry to two Sc and five Rh atoms. In the eighth B site, B is bonded in a 6-coordinate geometry to two Sc and five Rh atoms. In the ninth B site, B is bonded in a 6-coordinate geometry to six Rh atoms. In the tenth B site, B is bonded in a 6-coordinate geometry to five Rh and one B atom. The B–B bond length is 1.89 Å. In the eleventh B site, B is bonded in a 7-coordinate geometry to one Sc, five Rh, and one B atom. In the twelfth B site, B is bonded in a 8-coordinate geometry to two Sc and six Rh atoms.

36 MATERIALS SCIENCE↗