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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 1,297 records · Page 72
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on PrTe3 by Materials Project

PrTe3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two PrTe3 sheets oriented in the (0, 1, 0) direction. Pr4+ is bonded in a 9-coordinate geometry to nine Te+1.33- atoms. There are a spread of Pr–Te bond distances ranging from 3.27–3.40 Å. There are two inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a 6-coordinate geometry to two equivalent Pr4+ and four equivalent Te+1.33- atoms. All Te–Te bond lengths are 3.12 Å. In the second Te+1.33- site, Te+1.33- is bonded in a 5-coordinate geometry to five equivalent Pr4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2Cu by Materials Project

Ca2Cu crystallizes in the orthorhombic Pnma space group. The structure is two-dimensional and consists of two Ca2Cu sheets oriented in the (0, 0, 1) direction. there are two inequivalent Ca sites. In the first Ca site, Ca is bonded in a 3-coordinate geometry to three equivalent Cu atoms. There are two shorter (3.00 Å) and one longer (3.02 Å) Ca–Cu bond lengths. In the second Ca site, Ca is bonded in a 4-coordinate geometry to four equivalent Cu atoms. There are a spread of Ca–Cu bond distances ranging from 3.03–3.33 Å. Cu is bonded in a 9-coordinate geometry to seven Ca and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.52 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Materials Data on Mg2Rh by Materials Project

Mg2Rh crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Mg2Rh sheets oriented in the (0, 0, 1) direction. Mg is bonded in a 4-coordinate geometry to four equivalent Rh atoms. All Mg–Rh bond lengths are 2.70 Å. Rh is bonded in a body-centered cubic geometry to eight equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CrTe4Au by Materials Project

CrAuTe4 crystallizes in the monoclinic P2/m space group. The structure is two-dimensional and consists of one CrAuTe4 sheet oriented in the (1, 0, 0) direction. Cr3+ is bonded to six Te2- atoms to form CrTe6 octahedra that share edges with two equivalent CrTe6 octahedra and edges with four equivalent AuTe6 octahedra. There are two shorter (2.73 Å) and four longer (2.76 Å) Cr–Te bond lengths. Au5+ is bonded to six Te2- atoms to form distorted AuTe6 octahedra that share edges with two equivalent AuTe6 octahedra and edges with four equivalent CrTe6 octahedra. There are four shorter (2.72 Å) and two longer (3.32 Å) Au–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted trigonal non-coplanar geometry to one Cr3+ and two equivalent Au5+ atoms. In the second Te2- site, Te2- is bonded in a 2-coordinate geometry to two equivalent Cr3+ and one Au5+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BeAu2 by Materials Project

BeAu2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BeAu2 sheets oriented in the (0, 0, 1) direction. Be2+ is bonded in a body-centered cubic geometry to eight equivalent Au1- atoms. All Be–Au bond lengths are 2.53 Å. Au1- is bonded in a 4-coordinate geometry to four equivalent Be2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on GeS by Materials Project

GeS crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two GeS sheets oriented in the (0, 1, 0) direction. Ge2+ is bonded to five equivalent S2- atoms to form a mixture of corner and edge-sharing GeS5 square pyramids. There are one shorter (2.38 Å) and four longer (2.75 Å) Ge–S bond lengths. S2- is bonded to five equivalent Ge2+ atoms to form a mixture of corner and edge-sharing SGe5 square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Hf2Ag by Materials Project

AgHf2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two AgHf2 sheets oriented in the (0, 0, 1) direction. Hf is bonded in a 12-coordinate geometry to four equivalent Ag atoms. All Hf–Ag bond lengths are 3.03 Å. Ag is bonded in a distorted body-centered cubic geometry to eight equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ti2Pd by Materials Project

Ti2Pd crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Ti2Pd sheets oriented in the (0, 0, 1) direction. Ti is bonded in a 8-coordinate geometry to four equivalent Pd atoms. All Ti–Pd bond lengths are 2.75 Å. Pd is bonded in a body-centered cubic geometry to eight equivalent Ti atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SiPt3 by Materials Project

Pt3Si crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Pt3Si sheets oriented in the (0, 1, 0) direction. there are three inequivalent Pt+1.33+ sites. In the first Pt+1.33+ site, Pt+1.33+ is bonded in a distorted water-like geometry to two equivalent Si4- atoms. There are one shorter (2.37 Å) and one longer (2.54 Å) Pt–Si bond lengths. In the second Pt+1.33+ site, Pt+1.33+ is bonded in an L-shaped geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.46 Å. In the third Pt+1.33+ site, Pt+1.33+ is bonded in a water-like geometry to two equivalent Si4- atoms. Both Pt–Si bond lengths are 2.45 Å. Si4- is bonded in a 6-coordinate geometry to six Pt+1.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Materials Data on BePd2 by Materials Project

BePd2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two BePd2 sheets oriented in the (0, 0, 1) direction. Be is bonded in a body-centered cubic geometry to eight equivalent Pd atoms. All Be–Pd bond lengths are 2.42 Å. Pd is bonded in a 4-coordinate geometry to four equivalent Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Materials Data on BePd3 by Materials Project

BePd3 crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two BePd3 sheets oriented in the (0, 1, 0) direction. Be is bonded in a 6-coordinate geometry to eight Pd atoms. There are six shorter (2.31 Å) and two longer (2.65 Å) Be–Pd bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a distorted L-shaped geometry to two equivalent Be atoms. In the second Pd site, Pd is bonded in a 3-coordinate geometry to three equivalent Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Tb2Mg by Materials Project

MgTb2 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two MgTb2 sheets oriented in the (0, 0, 1) direction. Mg is bonded in a body-centered cubic geometry to eight equivalent Tb atoms. All Mg–Tb bond lengths are 3.32 Å. Tb is bonded in a 12-coordinate geometry to four equivalent Mg atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PdS2 by Materials Project

PdS2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two PdS2 sheets oriented in the (0, 0, 1) direction. Pd4+ is bonded in a square co-planar geometry to four equivalent S2- atoms. There are two shorter (2.34 Å) and two longer (2.35 Å) Pd–S bond lengths. S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Pd4+ and one S2- atom. The S–S bond length is 2.10 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn3Pd by Materials Project

PdSn3 crystallizes in the orthorhombic Cmce space group. The structure is two-dimensional and consists of two PdSn3 sheets oriented in the (0, 1, 0) direction. Pd is bonded in a 9-coordinate geometry to eight Sn atoms. There are a spread of Pd–Sn bond distances ranging from 2.83–2.89 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 4-coordinate geometry to four equivalent Pd and one Sn atom. The Sn–Sn bond length is 3.00 Å. In the second Sn site, Sn is bonded in a 2-coordinate geometry to two equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SnS by Materials Project

SnS crystallizes in the orthorhombic Cmcm space group. The structure is two-dimensional and consists of two SnS sheets oriented in the (0, 1, 0) direction. Sn2+ is bonded in a rectangular see-saw-like geometry to four equivalent S2- atoms. There are two shorter (2.61 Å) and two longer (2.93 Å) Sn–S bond lengths. S2- is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sn4Au by Materials Project

AuSn4 crystallizes in the orthorhombic Aea2 space group. The structure is two-dimensional and consists of two AuSn4 sheets oriented in the (0, 1, 0) direction. Au is bonded in a 8-coordinate geometry to eight Sn atoms. There are a spread of Au–Sn bond distances ranging from 2.89–2.97 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a distorted water-like geometry to two equivalent Au atoms. In the second Sn site, Sn is bonded in a distorted water-like geometry to two equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HfSiTe by Materials Project

HfSiTe crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one HfSiTe sheet oriented in the (0, 0, 1) direction. Hf is bonded in a 8-coordinate geometry to four equivalent Si and four equivalent Te atoms. All Hf–Si bond lengths are 2.79 Å. All Hf–Te bond lengths are 2.94 Å. Si is bonded in a 8-coordinate geometry to four equivalent Hf and four equivalent Si atoms. All Si–Si bond lengths are 2.59 Å. Te is bonded in a 4-coordinate geometry to four equivalent Hf atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NbF4 by Materials Project

NbF4 crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two NbF4 sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to six F1- atoms to form corner-sharing NbF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (1.91 Å) and four longer (2.09 Å) Nb–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one Nb4+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent Nb4+ atoms.

36 MATERIALS SCIENCE↗