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7 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on GdCo4B by Materials Project

GdCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All Gd–Co bond lengths are 2.90 Å. All Gd–B bond lengths are 2.91 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to eighteen Co atoms. There are six shorter (2.91 Å) and twelve longer (3.20 Å) Gd–Co bond lengths. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to three equivalent Gd and six equivalent Co atoms. All Co–Co bond lengths are 2.45 Å. In the second Co site, Co is bonded in a distorted L-shaped geometry to four Gd, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.05 Å. B is bonded in a 6-coordinate geometry to three equivalent Gd and six equivalent Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GdCo3B2 by Materials Project

GdCo3B2 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Gd–B bond lengths are 2.90 Å. Co1+ is bonded in a square co-planar geometry to four equivalent B3- atoms. All Co–B bond lengths are 2.09 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Gd3+ and six equivalent Co1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd3Co11B4 by Materials Project

Gd3Co11B4 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent Gd sites. In the first Gd site, Gd is bonded in a 12-coordinate geometry to twelve Co and six equivalent B atoms. There are six shorter (2.88 Å) and six longer (2.96 Å) Gd–Co bond lengths. All Gd–B bond lengths are 2.92 Å. In the second Gd site, Gd is bonded in a 6-coordinate geometry to six equivalent Co atoms. All Gd–Co bond lengths are 2.92 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a distorted L-shaped geometry to two equivalent Gd, 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 12-coordinate geometry to three equivalent Gd and six equivalent Co atoms. In the third Co site, Co is bonded in a distorted square co-planar geometry to four equivalent Gd and four equivalent B atoms. All Co–B bond lengths are 2.08 Å. B is bonded in a 6-coordinate geometry to three equivalent Gd and six Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(CoB)2 by Materials Project

GdCo2B2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Gd3+ is bonded in a body-centered cubic geometry to eight equivalent B3- atoms. All Gd–B bond lengths are 2.92 Å. Co+1.50+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 tetrahedra. All Co–B bond lengths are 2.00 Å. B3- is bonded in a 4-coordinate geometry to four equivalent Gd3+ and four equivalent Co+1.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(Co2B)6 by Materials Project

GdCo12B6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Gd3+ is bonded in a hexagonal planar geometry to six equivalent B3- atoms. All Gd–B bond lengths are 3.04 Å. There are two inequivalent Co+1.25+ sites. In the first Co+1.25+ site, Co+1.25+ is bonded to four equivalent B3- atoms to form a mixture of distorted edge and corner-sharing CoB4 trigonal pyramids. There are two shorter (2.02 Å) and two longer (2.04 Å) Co–B bond lengths. In the second Co+1.25+ site, Co+1.25+ is bonded in a T-shaped geometry to three equivalent B3- atoms. There are one shorter (2.09 Å) and two longer (2.10 Å) Co–B bond lengths. B3- is bonded in a 7-coordinate geometry to one Gd3+ and seven Co+1.25+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd2CoB3 by Materials Project

Gd2CoB3 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Gd3+ is bonded in a 9-coordinate geometry to nine B3- atoms. There are six shorter (2.75 Å) and three longer (2.92 Å) Gd–B bond lengths. Co3+ is bonded in a trigonal planar geometry to three equivalent B3- atoms. All Co–B bond lengths are 1.96 Å. There are three inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent Gd3+ and three equivalent B3- atoms. All B–B bond lengths are 1.96 Å. In the second B3- site, B3- is bonded in a distorted trigonal planar geometry to six equivalent Gd3+ and three equivalent Co3+ atoms. In the third B3- site, B3- is bonded in a 9-coordinate geometry to six equivalent Gd3+ and three equivalent B3- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Gd(CoB)4 by Materials Project

GdCo4B4 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Gd3+ is bonded in a 12-coordinate geometry to twelve equivalent B3- atoms. There are eight shorter (2.88 Å) and four longer (2.90 Å) Gd–B bond lengths. Co+2.25+ is bonded in a 5-coordinate geometry to five equivalent B3- atoms. There are a spread of Co–B bond distances ranging from 2.05–2.11 Å. B3- is bonded in a 6-coordinate geometry to three equivalent Gd3+, five equivalent Co+2.25+, and one B3- atom. The B–B bond length is 1.75 Å.

36 MATERIALS SCIENCE↗