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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 721 records · Page 40
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DOE OSTI2020

Materials Data on Zr3Pd4 by Materials Project

Zr3Pd4 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Zr is bonded in a 9-coordinate geometry to nine Pd atoms. There are a spread of Zr–Pd bond distances ranging from 2.73–3.09 Å. There are three inequivalent Pd sites. In the first Pd site, Pd is bonded in a 8-coordinate geometry to six equivalent Zr atoms. In the second Pd site, Pd is bonded in a 6-coordinate geometry to six equivalent Zr atoms. In the third Pd site, Pd is bonded in a 7-coordinate geometry to seven equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgPd2 by Materials Project

MgPd2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg is bonded in a 10-coordinate geometry to ten Pd atoms. There are a spread of Mg–Pd bond distances ranging from 2.70–2.89 Å. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 12-coordinate geometry to five equivalent Mg atoms. In the second Pd site, Pd is bonded in a 5-coordinate geometry to five equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThPt by Materials Project

PtTh crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 7-coordinate geometry to seven equivalent Pt atoms. There are five shorter (3.02 Å) and two longer (3.28 Å) Th–Pt bond lengths. Pt is bonded in a 5-coordinate geometry to seven equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThIr by Materials Project

ThIr crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Th is bonded in a 5-coordinate geometry to seven equivalent Ir atoms. There are a spread of Th–Ir bond distances ranging from 2.91–3.34 Å. Ir is bonded in a 5-coordinate geometry to seven equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Pt by Materials Project

Mg2Pt crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four equivalent Pt atoms. All Mg–Pt bond lengths are 2.73 Å. Pt is bonded in a 8-coordinate geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmZnRh by Materials Project

SmRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sm is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Sm–Rh bond distances ranging from 2.96–2.98 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Sm and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.66–2.73 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbZnRh by Materials Project

TbRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Tb is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are three shorter (2.93 Å) and two longer (2.94 Å) Tb–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to five equivalent Tb and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.65–2.70 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on DyZnRh by Materials Project

DyRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Dy is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are three shorter (2.92 Å) and two longer (2.93 Å) Dy–Rh bond lengths. Rh is bonded in a 9-coordinate geometry to five equivalent Dy and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.64–2.70 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoZnRh by Materials Project

HoRhZn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ho is bonded in a 5-coordinate geometry to five equivalent Rh atoms. There are a spread of Ho–Rh bond distances ranging from 2.90–2.93 Å. Rh is bonded in a 9-coordinate geometry to five equivalent Ho and four equivalent Zn atoms. There are a spread of Rh–Zn bond distances ranging from 2.64–2.69 Å. Zn is bonded in a 4-coordinate geometry to four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ZrPd by Materials Project

ZrPd is alpha-derived structured and crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven equivalent Pd atoms. There are a spread of Zr–Pd bond distances ranging from 2.81–2.93 Å. Pd is bonded in a 7-coordinate geometry to seven equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSiSe by Materials Project

HfSiSe crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 4-coordinate geometry to four equivalent Si and five equivalent Se atoms. All Hf–Si bond lengths are 2.78 Å. There are four shorter (2.75 Å) and one longer (3.27 Å) Hf–Se bond lengths. Si is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Si atoms. All Si–Si bond lengths are 2.54 Å. Se is bonded in a 4-coordinate geometry to five equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfGeTe by Materials Project

HfGeTe is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Hf is bonded in a 9-coordinate geometry to four equivalent Ge and five equivalent Te atoms. All Hf–Ge bond lengths are 2.87 Å. There are four shorter (2.98 Å) and one longer (3.20 Å) Hf–Te bond lengths. Ge is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.76 Å. Te is bonded in a 5-coordinate geometry to five equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GePd by Materials Project

PdGe is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Pd is bonded in a 6-coordinate geometry to six equivalent Ge atoms. There are a spread of Pd–Ge bond distances ranging from 2.52–2.68 Å. Ge is bonded in a 6-coordinate geometry to six equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MnSi by Materials Project

MnSi is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mn4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Mn–Si bond distances ranging from 2.28–2.53 Å. Si4- is bonded in a 7-coordinate geometry to seven equivalent Mn4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiRh by Materials Project

RhSi is alpha-derived structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh4+ is bonded in a 7-coordinate geometry to seven equivalent Si4- atoms. There are a spread of Rh–Si bond distances ranging from 2.50–2.55 Å. Si4- is bonded in a 7-coordinate geometry to seven equivalent Rh4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSi3Pt5 by Materials Project

SmPt5Si3 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Sm2+ is bonded in a 6-coordinate geometry to six Pt+1.20- atoms. There are a spread of Sm–Pt bond distances ranging from 3.10–3.19 Å. There are five inequivalent Pt+1.20- sites. In the first Pt+1.20- site, Pt+1.20- is bonded in a 4-coordinate geometry to two equivalent Sm2+ and four Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.58 Å. In the second Pt+1.20- site, Pt+1.20- is bonded in a 2-coordinate geometry to two equivalent Sm2+ and four Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.39–2.65 Å. In the third Pt+1.20- site, Pt+1.20- is bonded in a 6-coordinate geometry to two equivalent Sm2+ and four Si+1.33+ atoms. There are two shorter (2.44 Å) and two longer (2.65 Å) Pt–Si bond lengths. In the fourth Pt+1.20- site, Pt+1.20- is bonded in a 3-coordinate geometry to five Si+1.33+ atoms. There are a spread of Pt–Si bond distances ranging from 2.46–2.73 Å. In the fifth Pt+1.20- site, Pt+1.20- is bonded in a trigonal non-coplanar geometry to three equivalent Si+1.33+ atoms. There are one shorter (2.41 Å) and two longer (2.50 Å) Pt–Si bond lengths. There are three inequivalent Si+1.33+ sites. In the first Si+1.33+ site, Si+1.33+ is bonded in a 6-coordinate geometry to six Pt+1.20- atoms. In the second Si+1.33+ site, Si+1.33+ is bonded in a 7-coordinate geometry to seven Pt+1.20- atoms. In the third Si+1.33+ site, Si+1.33+ is bonded in a 7-coordinate geometry to seven Pt+1.20- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2Ge by Materials Project

Th2Ge is Khatyrkite structured and crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Th is bonded in a 4-coordinate geometry to four equivalent Ge atoms. All Th–Ge bond lengths are 3.16 Å. Ge is bonded in a 10-coordinate geometry to eight equivalent Th atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Th2S5 by Materials Project

Th2S5 crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Th4+ is bonded in a 10-coordinate geometry to ten S+1.60- atoms. There are a spread of Th–S bond distances ranging from 2.88–3.15 Å. There are three inequivalent S+1.60- sites. In the first S+1.60- site, S+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ atoms. In the second S+1.60- site, S+1.60- is bonded in a 6-coordinate geometry to four equivalent Th4+ and one S+1.60- atom. The S–S bond length is 2.16 Å. In the third S+1.60- site, S+1.60- is bonded in a 4-coordinate geometry to four equivalent Th4+ atoms.

36 MATERIALS SCIENCE↗