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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.

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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↗

Materials Data on UCo4B by Materials Project

UCo4B crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a distorted hexagonal planar geometry to six equivalent Co atoms. All U–Co bond lengths are 2.82 Å. In the second U site, U is bonded in a 12-coordinate geometry to twelve equivalent Co and six equivalent B atoms. All U–Co bond lengths are 2.84 Å. All U–B bond lengths are 2.82 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to three equivalent U and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoU3Co9 cuboctahedra. There are six shorter (2.44 Å) and three longer (2.82 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a distorted L-shaped geometry to two equivalent U, two equivalent Co, and two equivalent B atoms. Both Co–B bond lengths are 2.03 Å. B is bonded in a 6-coordinate geometry to three equivalent U and six equivalent Co atoms.

36 MATERIALS SCIENCE↗

Materials Data on UCoB4 by Materials Project

UCoB4 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. U4+ is bonded in a 2-coordinate geometry to fourteen B+1.50- atoms. There are a spread of U–B bond distances ranging from 2.57–2.70 Å. Co2+ is bonded in a 10-coordinate geometry to ten B+1.50- atoms. There are a spread of Co–B bond distances ranging from 2.23–2.27 Å. There are four inequivalent B+1.50- sites. In the first B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent U4+, two equivalent Co2+, and three B+1.50- atoms. There are a spread of B–B bond distances ranging from 1.77–1.82 Å. In the second B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent U4+, two equivalent Co2+, and three B+1.50- atoms. There is one shorter (1.74 Å) and one longer (1.76 Å) B–B bond length. In the third B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to two equivalent U4+, four equivalent Co2+, and three B+1.50- atoms. There is one shorter (1.71 Å) and one longer (1.75 Å) B–B bond length. In the fourth B+1.50- site, B+1.50- is bonded in a 9-coordinate geometry to four equivalent U4+, two equivalent Co2+, and three B+1.50- atoms.

36 MATERIALS SCIENCE↗