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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Co4B by Materials Project

Co4B crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Co sites. In the first Co site, Co is bonded in a 1-coordinate geometry to one B atom. The Co–B bond length is 2.04 Å. In the second Co site, Co is bonded in a 1-coordinate geometry to one B atom. The Co–B bond length is 2.04 Å. In the third Co site, Co is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.03 Å) and one longer (2.28 Å) Co–B bond lengths. In the fourth Co site, Co is bonded in a distorted L-shaped geometry to two B atoms. There are one shorter (2.02 Å) and one longer (2.04 Å) Co–B bond lengths. In the fifth Co site, Co is bonded in a distorted single-bond geometry to one B atom. The Co–B bond length is 2.05 Å. In the sixth Co site, Co is bonded in a distorted single-bond geometry to one B atom. The Co–B bond length is 2.05 Å. In the seventh Co site, Co is bonded in a distorted bent 150 degrees geometry to two B atoms. There are one shorter (1.99 Å) and one longer (2.01 Å) Co–B bond lengths. In the eighth Co site, Co is bonded in a distorted bent 150 degrees geometry to two B atoms. Both Co–B bond lengths are 2.00 Å. There are three inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to eight Co atoms. In the second B site, B is bonded in a 6-coordinate geometry to six Co atoms. In the third B site, B is bonded in a 6-coordinate geometry to six Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaY(Co4B)2 by Materials Project

LaY(Co4B)2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. La is bonded in a 6-coordinate geometry to two equivalent Y and six equivalent Co atoms. Both La–Y bond lengths are 3.43 Å. All La–Co bond lengths are 2.91 Å. Y is bonded in a 12-coordinate geometry to two equivalent La, twelve equivalent Co, and six equivalent B atoms. All Y–Co bond lengths are 2.90 Å. All Y–B bond lengths are 2.91 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Y, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.47 Å. Both Co–B bond lengths are 2.04 Å. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent La and six equivalent Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Y and six equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdY3(Co4B)4 by Materials Project

NdY3(Co4B)4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Nd is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Nd–Co bond lengths are 2.91 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Y–Co bond lengths are 2.91 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. All Y–Co bond lengths are 2.91 Å. All Y–B bond lengths are 2.91 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Y, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.46 Å. Both Co–B bond lengths are 2.04 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Y, two equivalent Co, and two equivalent B atoms. Both Co–Co bond lengths are 2.45 Å. Both Co–B bond lengths are 2.05 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to three equivalent Nd and six equivalent Co atoms. In the fourth Co site, Co is bonded in a 12-coordinate geometry to three equivalent Y and six equivalent Co atoms. B is bonded in a 6-coordinate geometry to three equivalent Y and six Co atoms.

36 MATERIALS SCIENCE↗