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Materials Data on UCo3B2 by Materials Project

UCo3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. U3+ is bonded in a distorted hexagonal planar geometry to six equivalent B3- atoms. All U–B bond lengths are 2.87 Å. Co1+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.08 Å. B3- is bonded in a 6-coordinate geometry to three equivalent U3+ and six equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on U(CoB)4 by Materials Project

U(CoB)4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. U4+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are eight shorter (2.86 Å) and four longer (2.91 Å) U–B bond lengths. Co2+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are four shorter (2.07 Å) and one longer (2.10 Å) Co–B bond lengths. B3- is bonded in a 6-coordinate geometry to three equivalent U4+, five equivalent Co2+, and one B3- atom. The B–B bond length is 1.74 Å.

36 MATERIALS SCIENCE↗

Materials Data on U3Co7B2 by Materials Project

U3Co7B2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are four inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to two U, twelve equivalent Co, and six B atoms. Both U–U bond lengths are 3.06 Å. All U–Co bond lengths are 2.86 Å. All U–B bond lengths are 2.86 Å. In the second U site, U is bonded in a 12-coordinate geometry to four U and twelve Co atoms. All U–U bond lengths are 2.98 Å. There are a spread of U–Co bond distances ranging from 2.85–2.96 Å. In the third U site, U is bonded in a 12-coordinate geometry to four U and twelve Co atoms. There are three shorter (2.98 Å) and one longer (3.06 Å) U–U bond lengths. There are a spread of U–Co bond distances ranging from 2.85–2.96 Å. In the fourth U site, U is bonded in a 12-coordinate geometry to four U and twelve Co atoms. There are a spread of U–Co bond distances ranging from 2.85–2.96 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent U and six equivalent Co atoms to form edge-sharing CoU6Co6 cuboctahedra. All Co–Co bond lengths are 2.48 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to five U, one Co, and two B atoms. There are one shorter (2.02 Å) and one longer (2.04 Å) Co–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Co atoms.

36 MATERIALS SCIENCE↗

Materials Data on U2(Co7B2)3 by Materials Project

U2Co21B6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All U–Co bond lengths are 2.44 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Co–Co bond lengths are 2.52 Å. In the second Co site, Co is bonded to one U and three equivalent B atoms to form a mixture of edge and corner-sharing CoUB3 tetrahedra. All Co–B bond lengths are 2.10 Å. In the third Co site, Co is bonded in a distorted bent 150 degrees geometry to one Co and two equivalent B atoms. Both Co–B bond lengths are 2.11 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

36 MATERIALS SCIENCE↗