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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CrRe13B6 by Materials Project

CrRe13B6 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. Cr is bonded in a 3-coordinate geometry to three equivalent B atoms. All Cr–B bond lengths are 2.19 Å. There are five inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to four B atoms. There are two shorter (2.26 Å) and two longer (2.61 Å) Re–B bond lengths. In the second Re site, Re is bonded in a 2-coordinate geometry to two equivalent B atoms. Both Re–B bond lengths are 2.26 Å. In the third Re site, Re is bonded in a 3-coordinate geometry to three equivalent B atoms. All Re–B bond lengths are 2.24 Å. In the fourth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.17 Å) and two longer (2.22 Å) Re–B bond lengths. In the fifth Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are one shorter (2.20 Å) and two longer (2.25 Å) Re–B bond lengths. There are two inequivalent B sites. In the first B site, B is bonded in a 6-coordinate geometry to six Re atoms. In the second B site, B is bonded in a 6-coordinate geometry to one Cr and seven Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrRe5B2 by Materials Project

CrRe5B2 crystallizes in the orthorhombic Amm2 space group. The structure is two-dimensional and consists of two CrRe5B2 sheets oriented in the (0, 1, 0) direction. Cr is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Cr–B bond lengths are 2.15 Å. There are three inequivalent Re sites. In the first Re site, Re is bonded in a 2-coordinate geometry to three B atoms. There are two shorter (2.27 Å) and one longer (2.57 Å) Re–B bond lengths. In the second Re site, Re is bonded in a 3-coordinate geometry to three B atoms. There are two shorter (2.26 Å) and one longer (2.41 Å) Re–B bond lengths. In the third Re site, Re is bonded in a distorted L-shaped geometry to two equivalent B atoms. Both Re–B bond lengths are 2.25 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 2-coordinate geometry to two equivalent Cr and six Re atoms. In the second B site, B is bonded in a 6-coordinate geometry to eight Re atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrRe3B4 by Materials Project

CrRe3B4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cr3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Cr–B bond distances ranging from 2.19–2.54 Å. There are three inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.25–2.74 Å. In the second Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.26–2.37 Å. In the third Re3+ site, Re3+ is bonded in a 7-coordinate geometry to seven B3- atoms. There are a spread of Re–B bond distances ranging from 2.25–2.75 Å. There are four inequivalent B3- sites. In the first B3- site, B3- is bonded in a 9-coordinate geometry to one Cr3+, six Re3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.86 Å. In the second B3- site, B3- is bonded in a 9-coordinate geometry to seven Re3+ and two equivalent B3- atoms. In the third B3- site, B3- is bonded in a 9-coordinate geometry to four equivalent Cr3+, three Re3+, and two equivalent B3- atoms. Both B–B bond lengths are 1.82 Å. In the fourth B3- site, B3- is bonded in a 9-coordinate geometry to two equivalent Cr3+, five Re3+, and two equivalent B3- atoms.

36 MATERIALS SCIENCE↗