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At least 163 records · Page 9
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DOE OSTI2020

Materials Data on Ho11Ge10 by Materials Project

Ho11Ge10 is delta Molybdenum Boride-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are four inequivalent Ho sites. In the first Ho site, Ho is bonded to seven Ge atoms to form a mixture of distorted corner, edge, and face-sharing HoGe7 pentagonal bipyramids. There are a spread of Ho–Ge bond distances ranging from 2.88–3.34 Å. In the second Ho site, Ho is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.78–3.44 Å. In the third Ho site, Ho is bonded in a 8-coordinate geometry to eight Ge atoms. There are four shorter (3.21 Å) and four longer (3.26 Å) Ho–Ge bond lengths. In the fourth Ho site, Ho is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Ho–Ge bond distances ranging from 2.91–3.09 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 2-coordinate geometry to eight Ho atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to eight Ho atoms. In the third Ge site, Ge is bonded in a 9-coordinate geometry to seven Ho and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.62 Å. In the fourth Ge site, Ge is bonded in a 8-coordinate geometry to eight Ho atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to eight Ho and one Ge atom. The Ge–Ge bond length is 2.58 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfBe by Materials Project

BeHf is delta Molybdenum Boride-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Be is bonded in a 9-coordinate geometry to two equivalent Be and seven equivalent Hf atoms. Both Be–Be bond lengths are 2.24 Å. There are a spread of Be–Hf bond distances ranging from 2.66–2.89 Å. Hf is bonded in a 7-coordinate geometry to seven equivalent Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyGePd2 by Materials Project

DyPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ge atoms. There are a spread of Dy–Pd bond distances ranging from 3.04–3.17 Å. There are a spread of Dy–Ge bond distances ranging from 3.00–3.07 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Dy and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.54–2.67 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Dy and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y2Ga3Cu by Materials Project

Y2CuGa3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Y–Cu bond lengths are 2.93 Å. There are a spread of Y–Ga bond distances ranging from 3.01–3.39 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Y–Cu bond lengths are 3.18 Å. There are a spread of Y–Ga bond distances ranging from 2.99–3.37 Å. Cu is bonded in a 10-coordinate geometry to six Y and four Ga atoms. There are three shorter (2.55 Å) and one longer (3.13 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Cu atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Y and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.60 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Y, one Cu, and three equivalent Ga atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sc2Ge4Mo3 by Materials Project

Sc2Mo3Ge4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.74–2.95 Å. There are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.61–2.77 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Mo–Ge bond distances ranging from 2.55–2.69 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Mo, and one Ge atom. The Ge–Ge bond length is 2.72 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sc, six Mo, and one Ge atom. The Ge–Ge bond length is 2.63 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four Mo, and one Ge atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Li(ErGe)4 by Materials Project

Li(ErGe)4 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Li is bonded in a 3-coordinate geometry to five Ge atoms. There are a spread of Li–Ge bond distances ranging from 2.68–3.13 Å. There are two inequivalent Er sites. In the first Er site, Er is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.83–3.01 Å. In the second Er site, Er is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Er–Ge bond distances ranging from 2.95–3.35 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 1-coordinate geometry to one Li, six Er, and one Ge atom. The Ge–Ge bond length is 2.56 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Li, six Er, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to one Li, seven Er, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbGaPd2 by Materials Project

TbPd2Ga is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ga atoms. There are a spread of Tb–Pd bond distances ranging from 3.05–3.28 Å. There are a spread of Tb–Ga bond distances ranging from 3.04–3.09 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Tb and three equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.54–2.65 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmNiSn2 by Materials Project

TmNiSn2 is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 8-coordinate geometry to six Ni and eight Sn atoms. There are a spread of Tm–Ni bond distances ranging from 3.25–3.50 Å. There are a spread of Tm–Sn bond distances ranging from 3.08–3.17 Å. In the second Tm site, Tm is bonded in a 11-coordinate geometry to two equivalent Ni and nine Sn atoms. Both Tm–Ni bond lengths are 3.02 Å. There are a spread of Tm–Sn bond distances ranging from 3.13–3.49 Å. In the third Tm site, Tm is bonded in a 1-coordinate geometry to four Ni and nine Sn atoms. There are two shorter (3.12 Å) and two longer (3.19 Å) Tm–Ni bond lengths. There are a spread of Tm–Sn bond distances ranging from 3.11–3.56 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 10-coordinate geometry to five Tm and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.54–2.74 Å. In the second Ni site, Ni is bonded in a 7-coordinate geometry to three Tm and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.48–2.78 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to four Tm and five Sn atoms. There are a spread of Ni–Sn bond distances ranging from 2.53–2.68 Å. There are six inequivalent Sn sites. In the first Sn site, Sn is bonded in a 8-coordinate geometry to four Tm, three equivalent Ni, and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the second Sn site, Sn is bonded in a 9-coordinate geometry to six Tm and three Ni atoms. In the third Sn site, Sn is bonded in a 6-coordinate geometry to four Tm and two Ni atoms. In the fourth Sn site, Sn is bonded in a 7-coordinate geometry to four Tm and three Ni atoms. In the fifth Sn site, Sn is bonded in a 8-coordinate geometry to four Tm, three Ni, and one Sn atom. In the sixth Sn site, Sn is bonded in a 2-coordinate geometry to four Tm and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmSiPd2 by Materials Project

TmPd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Si atoms. There are a spread of Tm–Pd bond distances ranging from 2.96–3.18 Å. There are two shorter (2.96 Å) and one longer (3.00 Å) Tm–Si bond lengths. Pd is bonded in a 12-coordinate geometry to four equivalent Tm and three equivalent Si atoms. There are a spread of Pd–Si bond distances ranging from 2.48–2.61 Å. Si is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgSi2 by Materials Project

MgSi2 is delta Molybdenum Boride-like structured and crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. there are four inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to ten Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.06 Å. In the second Mg site, Mg is bonded in a 2-coordinate geometry to ten Si atoms. There are a spread of Mg–Si bond distances ranging from 2.75–3.17 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to ten Si atoms. There are a spread of Mg–Si bond distances ranging from 2.76–3.21 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to ten Si atoms. There are a spread of Mg–Si bond distances ranging from 2.78–3.07 Å. There are eight inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.37–2.84 Å. In the second Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.54 Å. In the third Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.40–2.56 Å. In the fourth Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. There are a spread of Si–Si bond distances ranging from 2.38–2.54 Å. In the fifth Si site, Si is bonded in a 8-coordinate geometry to five Mg and three Si atoms. In the sixth Si site, Si is bonded in a 1-coordinate geometry to five Mg and three Si atoms. In the seventh Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms. The Si–Si bond length is 2.76 Å. In the eighth Si site, Si is bonded in a 9-coordinate geometry to five Mg and four Si atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cr2B3Os by Materials Project

Cr2OsB3 is delta Molybdenum Boride-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are eight inequivalent Cr+2.50+ sites. In the first Cr+2.50+ site, Cr+2.50+ is bonded in a 7-coordinate geometry to seven B1- atoms. There are a spread of Cr–B bond distances ranging from 2.18–2.30 Å. In the second Cr+2.50+ site, Cr+2.50+ is bonded in a 7-coordinate geometry to seven B1- atoms. There are a spread of Cr–B bond distances ranging from 2.17–2.30 Å. In the third Cr+2.50+ site, Cr+2.50+ is bonded in a 7-coordinate geometry to six Os2- and seven B1- atoms. There are a spread of Cr–Os bond distances ranging from 2.69–2.77 Å. There are a spread of Cr–B bond distances ranging from 2.23–2.36 Å. In the fourth Cr+2.50+ site, Cr+2.50+ is bonded in a 7-coordinate geometry to two equivalent Os2- and seven B1- atoms. Both Cr–Os bond lengths are 2.76 Å. There are a spread of Cr–B bond distances ranging from 2.13–2.40 Å. In the fifth Cr+2.50+ site, Cr+2.50+ is bonded in a 7-coordinate geometry to two equivalent Os2- and seven B1- atoms. Both Cr–Os bond lengths are 2.74 Å. There are a spread of Cr–B bond distances ranging from 2.12–2.41 Å. In the sixth Cr+2.50+ site, Cr+2.50+ is bonded in a 7-coordinate geometry to four equivalent Os2- and seven B1- atoms. There are two shorter (2.70 Å) and two longer (2.73 Å) Cr–Os bond lengths. There are a spread of Cr–B bond distances ranging from 2.20–2.31 Å. In the seventh Cr+2.50+ site, Cr+2.50+ is bonded in a 7-coordinate geometry to four equivalent Os2- and seven B1- atoms. There are two shorter (2.73 Å) and two longer (2.74 Å) Cr–Os bond lengths. There are a spread of Cr–B bond distances ranging from 2.20–2.30 Å. In the eighth Cr+2.50+ site, Cr+2.50+ is bonded in a 7-coordinate geometry to six Os2- and seven B1- atoms. There are a spread of Cr–Os bond distances ranging from 2.69–2.76 Å. There are a spread of Cr–B bond distances ranging from 2.21–2.39 Å. There are four inequivalent Os2- sites. In the first Os2- site, Os2- is bonded in a 7-coordinate geometry to six Cr+2.50+ and seven B1- atoms. There are a spread of Os–B bond distances ranging from 2.22–2.35 Å. In the second Os2- site, Os2- is bonded in a 5-coordinate geometry to six Cr+2.50+ and seven B1- atoms. There are a spread of Os–B bond distances ranging from 2.25–2.31 Å. In the third Os2- site, Os2- is bonded in a 5-coordinate geometry to six Cr+2.50+ and seven B1- atoms. There are a spread of Os–B bond distances ranging from 2.23–2.35 Å. In the fourth Os2- site, Os2- is bonded in a 5-coordinate geometry to six Cr+2.50+ and seven B1- atoms. There are a spread of Os–B bond distances ranging from 2.26–2.32 Å. There are twelve inequivalent B1- sites. In the first B1- site, B1- is bonded in a 9-coordinate geometry to four Cr+2.50+, three Os2-, and two equivalent B1- atoms. Both B–B bond lengths are 1.77 Å. In the second B1- site, B1- is bonded in a 9-coordinate geometry to five Cr+2.50+, two equivalent Os2-, and two equivalent B1- atoms. Both B–B bond lengths are 1.77 Å. In the third B1- site, B1- is bonded in a 9-coordinate geometry to five Cr+2.50+, two equivalent Os2-, and two equivalent B1- atoms. Both B–B bond lengths are 1.76 Å. In the fourth B1- site, B1- is bonded in a 9-coordinate geometry to four Cr+2.50+, three Os2-, and two equivalent B1- atoms. Both B–B bond lengths are 1.77 Å. In the fifth B1- site, B1- is bonded in a 9-coordinate geometry to six Cr+2.50+, one Os2-, and two equivalent B1- atoms. Both B–B bond lengths are 1.78 Å. In the sixth B1- site, B1- is bonded in a 9-coordinate geometry to six Cr+2.50+, one Os2-, and two equivalent B1- atoms. Both B–B bond lengths are 1.78 Å. In the seventh B1- site, B1- is bonded in a 9-coordinate geometry to three Cr+2.50+, four Os2-, and two equivalent B1- atoms. In the eighth B1- site, B1- is bonded in a 9-coordinate geometry to five Cr+2.50+, two equivalent Os2-, and two equivalent B1- atoms. In the ninth B1- site, B1- is bonded in a 9-coordinate geometry to five Cr+2.50+, two equivalent Os2-, and two equivalent B1- atoms. In the tenth B1- site, B1- is bonded in a 9-coordinate geometry to five Cr+2.50+, two equivalent Os2-, and two equivalent B1- atoms. In the eleventh B1- site, B1- is bonded in a 9-coordinate geometry to five Cr+2.50+, two equivalent Os2-, and two equivalent B1- atoms. In the twelfth B1- site, B1- is bonded in a 9-coordinate geometry to three Cr+2.50+, four Os2-, and two equivalent B1- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuGePd2 by Materials Project

EuPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Eu is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ge atoms. There are a spread of Eu–Pd bond distances ranging from 3.09–3.28 Å. There are a spread of Eu–Ge bond distances ranging from 3.12–3.18 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Eu and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.60–2.70 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Eu and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KFe by Materials Project

KFe is delta Molybdenum Boride-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. K is bonded in a 3-coordinate geometry to seven equivalent Fe atoms. There are a spread of K–Fe bond distances ranging from 3.53–3.85 Å. Fe is bonded in a 9-coordinate geometry to seven equivalent K and two equivalent Fe atoms. Both Fe–Fe bond lengths are 2.26 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LuGePd2 by Materials Project

LuPd2Ge is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ge atoms. There are a spread of Lu–Pd bond distances ranging from 3.03–3.11 Å. There are a spread of Lu–Ge bond distances ranging from 2.94–3.02 Å. Pd is bonded in a 7-coordinate geometry to four equivalent Lu and three equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.52–2.64 Å. Ge is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbSiPd2 by Materials Project

TbPd2Si is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to ten equivalent Pd and three equivalent Si atoms. There are a spread of Tb–Pd bond distances ranging from 2.98–3.53 Å. There are a spread of Tb–Si bond distances ranging from 2.99–3.03 Å. Pd is bonded in a 12-coordinate geometry to five equivalent Tb, four equivalent Pd, and three equivalent Si atoms. There are a spread of Pd–Pd bond distances ranging from 2.78–3.07 Å. There are a spread of Pd–Si bond distances ranging from 2.50–2.63 Å. Si is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta2B2Os by Materials Project

Ta2OsB2 is Tungsten boride-derived structured and crystallizes in the tetragonal P4/mnc space group. The structure is three-dimensional. Ta4+ is bonded in a 10-coordinate geometry to four equivalent Os2- and six equivalent B3- atoms. There are two shorter (2.74 Å) and two longer (2.84 Å) Ta–Os bond lengths. There are a spread of Ta–B bond distances ranging from 2.42–2.49 Å. Os2- is bonded in a 12-coordinate geometry to eight equivalent Ta4+ and four equivalent B3- atoms. All Os–B bond lengths are 2.39 Å. B3- is bonded in a 9-coordinate geometry to six equivalent Ta4+, two equivalent Os2-, and one B3- atom. The B–B bond length is 1.90 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YGaPd2 by Materials Project

YPd2Ga is delta Molybdenum Boride-derived structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to eight equivalent Pd and three equivalent Ga atoms. There are a spread of Y–Pd bond distances ranging from 3.04–3.23 Å. There are a spread of Y–Ga bond distances ranging from 3.01–3.08 Å. Pd is bonded in a 12-coordinate geometry to four equivalent Y and three equivalent Ga atoms. There are a spread of Pd–Ga bond distances ranging from 2.56–2.64 Å. Ga is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Ga3Cu by Materials Project

Sm2CuGa3 is Tungsten boride-derived structured and crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. there are two inequivalent Sm sites. In the first Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Sm–Cu bond lengths are 2.97 Å. There are a spread of Sm–Ga bond distances ranging from 3.04–3.45 Å. In the second Sm site, Sm is bonded in a 12-coordinate geometry to three equivalent Cu and nine Ga atoms. All Sm–Cu bond lengths are 3.24 Å. There are six shorter (3.03 Å) and three longer (3.44 Å) Sm–Ga bond lengths. Cu is bonded in a 10-coordinate geometry to six Sm and four Ga atoms. There are three shorter (2.58 Å) and one longer (3.16 Å) Cu–Ga bond lengths. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a 9-coordinate geometry to six Sm and three equivalent Cu atoms. In the second Ga site, Ga is bonded in a 9-coordinate geometry to six Sm and three equivalent Ga atoms. All Ga–Ga bond lengths are 2.64 Å. In the third Ga site, Ga is bonded in a 10-coordinate geometry to six Sm, one Cu, and three equivalent Ga atoms.

36 MATERIALS SCIENCE↗