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Materials Data on Co21(ReB3)2 by Materials Project

Co21(ReB3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Re is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Re–Co bond lengths are 2.38 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 2.50 Å. In the second Co site, Co is bonded in a 4-coordinate geometry to one Re and three equivalent B atoms. All Co–B bond lengths are 2.07 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 2.09 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

36 MATERIALS SCIENCE↗

Materials Data on ReB3 by Materials Project

ReB3 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Re3+ is bonded in a 8-coordinate geometry to fourteen B1- atoms. There are eight shorter (2.34 Å) and six longer (2.63 Å) Re–B bond lengths. There are two inequivalent B1- sites. In the first B1- site, B1- is bonded in a distorted hexagonal planar geometry to six equivalent Re3+ and six equivalent B1- atoms. All B–B bond lengths are 1.87 Å. In the second B1- site, B1- is bonded in a 10-coordinate geometry to four equivalent Re3+ and six B1- atoms. All B–B bond lengths are 2.01 Å.

36 MATERIALS SCIENCE↗