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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 595 records · Page 33
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DOE OSTI2020

Materials Data on BaSrPdF6 by Materials Project

BaSrPdF6 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of Ba–F bond distances ranging from 2.65–2.70 Å. Sr2+ is bonded in a distorted body-centered cubic geometry to eight F1- atoms. There are a spread of Sr–F bond distances ranging from 2.57–2.61 Å. Pd2+ is bonded in a rectangular see-saw-like geometry to four F1- atoms. All Pd–F bond lengths are 2.01 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent Ba2+ and two equivalent Sr2+ atoms to form a mixture of edge and corner-sharing FBa2Sr2 tetrahedra. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Ba2+ and one Pd2+ atom. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to two equivalent Sr2+ and one Pd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Fe3Co3Ge2 by Materials Project

(FeCo)3Ge2 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are three inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to four Co and four Ge atoms. There are one shorter (2.41 Å) and three longer (2.43 Å) Fe–Co bond lengths. There are one shorter (2.44 Å) and three longer (2.51 Å) Fe–Ge bond lengths. In the second Fe site, Fe is bonded in a distorted body-centered cubic geometry to seven Co and four Ge atoms. There are a spread of Fe–Co bond distances ranging from 2.42–2.87 Å. There are one shorter (2.41 Å) and three longer (2.48 Å) Fe–Ge bond lengths. In the third Fe site, Fe is bonded in a 8-coordinate geometry to seven Co and four Ge atoms. There are a spread of Fe–Co bond distances ranging from 2.53–2.80 Å. There are three shorter (2.47 Å) and one longer (2.56 Å) Fe–Ge bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 8-coordinate geometry to five Fe, three equivalent Co, and six Ge atoms. All Co–Co bond lengths are 2.55 Å. There are three shorter (2.77 Å) and three longer (2.92 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 8-coordinate geometry to seven Fe, one Co, and six Ge atoms. The Co–Co bond length is 2.52 Å. There are three shorter (2.82 Å) and three longer (2.93 Å) Co–Ge bond lengths. In the third Co site, Co is bonded in a 4-coordinate geometry to six Fe, four Co, and four Ge atoms. There are three shorter (2.45 Å) and one longer (2.50 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a body-centered cubic geometry to five Fe and nine Co atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to seven Fe and seven Co atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaPd3O4 by Materials Project

NaPd3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Na–O bond lengths are 2.49 Å. Pd is bonded in a square co-planar geometry to four equivalent O atoms. All Pd–O bond lengths are 2.04 Å. O is bonded to two equivalent Na and three equivalent Pd atoms to form a mixture of edge and corner-sharing ONa2Pd3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdPd3S4 by Materials Project

NdPd3S4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Nd2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Nd–S bond lengths are 2.93 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.39 Å. S2- is bonded to two equivalent Nd2+ and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing SNd2Pd3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuPd3S4 by Materials Project

EuPd3S4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Eu2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Eu–S bond lengths are 2.92 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.38 Å. S2- is bonded to two equivalent Eu2+ and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing SEu2Pd3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaPd3S4 by Materials Project

LaPd3S4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. La2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All La–S bond lengths are 2.94 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.40 Å. S2- is bonded to two equivalent La2+ and three equivalent Pd2+ atoms to form a mixture of corner and edge-sharing SLa2Pd3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaPd3O4 by Materials Project

CaPd3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.53 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.06 Å. O2- is bonded to two equivalent Ca2+ and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing OCa2Pd3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaPt3O4 by Materials Project

CaPt3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.54 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.08 Å. O2- is bonded to two equivalent Ca2+ and three equivalent Pt2+ atoms to form a mixture of edge and corner-sharing OCa2Pt3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrPd3O4 by Materials Project

SrPd3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.56 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pd–O bond lengths are 2.09 Å. O2- is bonded to two equivalent Sr2+ and three equivalent Pd2+ atoms to form a mixture of corner and edge-sharing OSr2Pd3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrPt3O4 by Materials Project

SrPt3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Sr–O bond lengths are 2.57 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.10 Å. O2- is bonded to two equivalent Sr2+ and three equivalent Pt2+ atoms to form a mixture of edge and corner-sharing OSr2Pt3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na(Cu3O4)2 by Materials Project

Na(Cu3O4)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.30 Å. Cu+2.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.90 Å. O2- is bonded to one Na1+ and three equivalent Cu+2.50+ atoms to form a mixture of distorted edge and corner-sharing ONaCu3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ErPd3S4 by Materials Project

ErPd3S4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Er is bonded in a body-centered cubic geometry to eight equivalent S atoms. All Er–S bond lengths are 2.90 Å. Pd is bonded in a square co-planar geometry to four equivalent S atoms. All Pd–S bond lengths are 2.37 Å. S is bonded to two equivalent Er and three equivalent Pd atoms to form a mixture of edge and corner-sharing SEr2Pd3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgPt3O4 by Materials Project

MgPt3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Mg2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Mg–O bond lengths are 2.52 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.06 Å. O2- is bonded to two equivalent Mg2+ and three equivalent Pt2+ atoms to form a mixture of corner and edge-sharing OMg2Pt3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrPd3S4 by Materials Project

PrPd3S4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Pr is bonded in a body-centered cubic geometry to eight equivalent S atoms. All Pr–S bond lengths are 2.94 Å. Pd is bonded in a square co-planar geometry to four equivalent S atoms. All Pd–S bond lengths are 2.40 Å. S is bonded to two equivalent Pr and three equivalent Pd atoms to form a mixture of edge and corner-sharing SPr2Pd3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmPd3S4 by Materials Project

SmPd3S4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Sm2+ is bonded in a body-centered cubic geometry to eight equivalent S2- atoms. All Sm–S bond lengths are 2.92 Å. Pd2+ is bonded in a square co-planar geometry to four equivalent S2- atoms. All Pd–S bond lengths are 2.39 Å. S2- is bonded to two equivalent Sm2+ and three equivalent Pd2+ atoms to form a mixture of edge and corner-sharing SSm2Pd3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on BaPt3O4 by Materials Project

BaPt3O4 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ba2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ba–O bond lengths are 2.62 Å. Pt2+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Pt–O bond lengths are 2.14 Å. O2- is bonded to two equivalent Ba2+ and three equivalent Pt2+ atoms to form a mixture of edge and corner-sharing OBa2Pt3 trigonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca(Cu3O4)2 by Materials Project

Ca(Cu3O4)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.33 Å. Cu+2.33+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Cu–O bond lengths are 1.92 Å. O2- is bonded to one Ca2+ and three equivalent Cu+2.33+ atoms to form a mixture of distorted edge and corner-sharing OCaCu3 trigonal pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2PdBrCl3 by Materials Project

K2PdBrCl3 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to two equivalent Br1- and six Cl1- atoms. Both K–Br bond lengths are 3.40 Å. There are a spread of K–Cl bond distances ranging from 3.30–3.36 Å. Pd2+ is bonded in a square co-planar geometry to one Br1- and three Cl1- atoms. The Pd–Br bond length is 2.45 Å. There are two shorter (2.33 Å) and one longer (2.35 Å) Pd–Cl bond lengths. Br1- is bonded to four equivalent K1+ and one Pd2+ atom to form distorted BrK4Pd square pyramids that share corners with thirteen ClK4Pd square pyramids, edges with two equivalent BrK4Pd square pyramids, edges with four ClK4Pd square pyramids, and faces with two equivalent ClK4Pd square pyramids. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and one Pd2+ atom to form distorted ClK4Pd square pyramids that share corners with five equivalent BrK4Pd square pyramids, corners with eight equivalent ClK4Pd square pyramids, edges with two equivalent BrK4Pd square pyramids, edges with four ClK4Pd square pyramids, and faces with two equivalent ClK4Pd square pyramids. In the second Cl1- site, Cl1- is bonded to four equivalent K1+ and one Pd2+ atom to form distorted ClK4Pd square pyramids that share corners with four equivalent BrK4Pd square pyramids, corners with nine ClK4Pd square pyramids, an edgeedge with one BrK4Pd square pyramid, edges with five ClK4Pd square pyramids, a faceface with one BrK4Pd square pyramid, and a faceface with one ClK4Pd square pyramid.

36 MATERIALS SCIENCE↗