Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “coordination structure”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 1,387 records · Page 77
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on ZrSnIr by Materials Project

IrZrSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Zr is bonded in a 11-coordinate geometry to five Ir and six equivalent Sn atoms. There are one shorter (2.91 Å) and four longer (2.94 Å) Zr–Ir bond lengths. There are two shorter (3.12 Å) and four longer (3.19 Å) Zr–Sn bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Zr and six equivalent Sn atoms. All Ir–Sn bond lengths are 2.72 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Zr and three equivalent Sn atoms. All Ir–Sn bond lengths are 2.74 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Zr and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2Te3 by Materials Project

Rb2Te3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb is bonded in a 8-coordinate geometry to eight Te atoms. There are a spread of Rb–Te bond distances ranging from 3.69–4.07 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a 7-coordinate geometry to six equivalent Rb and one Te atom. The Te–Te bond length is 2.88 Å. In the second Te site, Te is bonded in a 7-coordinate geometry to six equivalent Rb and one Te atom. The Te–Te bond length is 2.88 Å. In the third Te site, Te is bonded in a 6-coordinate geometry to four equivalent Rb and two Te atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmSnPt by Materials Project

SmPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.09 Å) and one longer (3.10 Å) Sm–Pt bond lengths. There are two shorter (3.28 Å) and four longer (3.40 Å) Sm–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.87 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.83 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Sm and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on PrSnPd by Materials Project

PrPdSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Pr is bonded in a 11-coordinate geometry to five Pd and six equivalent Sn atoms. There are four shorter (3.12 Å) and one longer (3.17 Å) Pr–Pd bond lengths. There are two shorter (3.33 Å) and four longer (3.46 Å) Pr–Sn bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Pr and three equivalent Sn atoms. All Pd–Sn bond lengths are 2.94 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Pr and six equivalent Sn atoms. All Pd–Sn bond lengths are 2.84 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Pr and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NdSnPt by Materials Project

NdPtSn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Nd is bonded in a 11-coordinate geometry to five Pt and six equivalent Sn atoms. There are four shorter (3.11 Å) and one longer (3.14 Å) Nd–Pt bond lengths. There are two shorter (3.31 Å) and four longer (3.44 Å) Nd–Sn bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Nd and six equivalent Sn atoms. All Pt–Sn bond lengths are 2.84 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Nd and three equivalent Sn atoms. All Pt–Sn bond lengths are 2.91 Å. Sn is bonded in a 10-coordinate geometry to six equivalent Nd and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LaInNi2 by Materials Project

LaNi2In crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to seven Ni and six equivalent In atoms. There are a spread of La–Ni bond distances ranging from 2.72–3.13 Å. There are four shorter (3.39 Å) and two longer (3.46 Å) La–In bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to three equivalent La, four equivalent Ni, and two equivalent In atoms. All Ni–Ni bond lengths are 2.57 Å. Both Ni–In bond lengths are 2.66 Å. In the second Ni site, Ni is bonded to four equivalent La, six Ni, and two equivalent In atoms to form a mixture of edge, corner, and face-sharing NiLa4In2Ni6 cuboctahedra. Both Ni–Ni bond lengths are 2.64 Å. Both Ni–In bond lengths are 2.78 Å. In is bonded in a 12-coordinate geometry to six equivalent La and four Ni atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(GePt)2 by Materials Project

LaPt2Ge2 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. La is bonded in a 1-coordinate geometry to eight Pt and eight Ge atoms. There are a spread of La–Pt bond distances ranging from 3.34–3.42 Å. There are a spread of La–Ge bond distances ranging from 3.32–3.43 Å. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Ge atoms. There are a spread of Pt–Ge bond distances ranging from 2.56–2.58 Å. In the second Pt site, Pt is bonded in a 5-coordinate geometry to four equivalent La and five Ge atoms. There are one shorter (2.50 Å) and four longer (2.55 Å) Pt–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent La and four equivalent Pt atoms. In the second Ge site, Ge is bonded in a 5-coordinate geometry to four equivalent La and five Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TmInRh by Materials Project

TmRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.00 Å) and one longer (3.03 Å) Tm–Rh bond lengths. There are two shorter (3.18 Å) and four longer (3.30 Å) Tm–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Tm and three equivalent In atoms. All Rh–In bond lengths are 2.81 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Tm and six equivalent In atoms. All Rh–In bond lengths are 2.75 Å. In is bonded in a 4-coordinate geometry to six equivalent Tm and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on HoInPt by Materials Project

HoPtIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ho is bonded in a 11-coordinate geometry to five Pt and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.12 Å) Ho–Pt bond lengths. There are two shorter (3.20 Å) and four longer (3.34 Å) Ho–In bond lengths. There are two inequivalent Pt sites. In the first Pt site, Pt is bonded in a 9-coordinate geometry to three equivalent Ho and six equivalent In atoms. All Pt–In bond lengths are 2.78 Å. In the second Pt site, Pt is bonded in a 9-coordinate geometry to six equivalent Ho and three equivalent In atoms. All Pt–In bond lengths are 2.88 Å. In is bonded in a 10-coordinate geometry to six equivalent Ho and four Pt atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on TbInPd by Materials Project

TbPdIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Tb is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.03 Å) and one longer (3.20 Å) Tb–Pd bond lengths. There are two shorter (3.20 Å) and four longer (3.38 Å) Tb–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Tb and six equivalent In atoms. All Pd–In bond lengths are 2.78 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Tb and three equivalent In atoms. All Pd–In bond lengths are 2.93 Å. In is bonded in a 10-coordinate geometry to six equivalent Tb and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SmInIr by Materials Project

SmIrIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Sm is bonded in a 11-coordinate geometry to five Ir and six equivalent In atoms. There are four shorter (3.06 Å) and one longer (3.09 Å) Sm–Ir bond lengths. There are two shorter (3.27 Å) and four longer (3.38 Å) Sm–In bond lengths. There are two inequivalent Ir sites. In the first Ir site, Ir is bonded in a 9-coordinate geometry to three equivalent Sm and six equivalent In atoms. All Ir–In bond lengths are 2.79 Å. In the second Ir site, Ir is bonded in a 9-coordinate geometry to six equivalent Sm and three equivalent In atoms. All Ir–In bond lengths are 2.88 Å. In is bonded in a 10-coordinate geometry to six equivalent Sm and four Ir atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb2PbO3 by Materials Project

Rb2PbO3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rb1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.19 Å. Pb4+ is bonded to five O2- atoms to form distorted edge-sharing PbO5 trigonal bipyramids. There are a spread of Pb–O bond distances ranging from 2.06–2.24 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Rb1+ and two equivalent Pb4+ atoms to form a mixture of distorted corner, edge, and face-sharing ORb4Pb2 octahedra. The corner-sharing octahedra tilt angles range from 37–52°. In the second O2- site, O2- is bonded in a 5-coordinate geometry to four equivalent Rb1+ and one Pb4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YbInPd by Materials Project

YbInPd crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Yb is bonded in a 11-coordinate geometry to five Pd and six equivalent In atoms. There are four shorter (3.06 Å) and one longer (3.11 Å) Yb–Pd bond lengths. There are two shorter (3.24 Å) and four longer (3.39 Å) Yb–In bond lengths. There are two inequivalent Pd sites. In the first Pd site, Pd is bonded in a 9-coordinate geometry to three equivalent Yb and six equivalent In atoms. All Pd–In bond lengths are 2.81 Å. In the second Pd site, Pd is bonded in a 9-coordinate geometry to six equivalent Yb and three equivalent In atoms. All Pd–In bond lengths are 2.87 Å. In is bonded in a 10-coordinate geometry to six equivalent Yb and four Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThFe5P3 by Materials Project

ThFe5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th is bonded in a 8-coordinate geometry to ten Fe and six P atoms. There are a spread of Th–Fe bond distances ranging from 2.96–3.17 Å. There are a spread of Th–P bond distances ranging from 2.88–2.95 Å. There are five inequivalent Fe sites. In the first Fe site, Fe is bonded to three equivalent Th and four P atoms to form a mixture of distorted edge, corner, and face-sharing FeTh3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.31–2.35 Å. In the second Fe site, Fe is bonded in a 1-coordinate geometry to five P atoms. There are a spread of Fe–P bond distances ranging from 2.23–2.57 Å. In the third Fe site, Fe is bonded to three equivalent Th and four P atoms to form a mixture of distorted edge, corner, and face-sharing FeTh3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.31–2.40 Å. In the fourth Fe site, Fe is bonded to three equivalent Th and four P atoms to form a mixture of distorted edge, corner, and face-sharing FeTh3P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.23–2.37 Å. In the fifth Fe site, Fe is bonded to one Th and four P atoms to form a mixture of distorted edge, corner, and face-sharing FeThP4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.14–2.25 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Th and seven Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent Th and seven Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent Th and seven Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UMn5P3 by Materials Project

UMn5P3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to six P atoms. There are a spread of U–P bond distances ranging from 2.82–2.88 Å. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.32 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.24–2.36 Å. In the third Mn site, Mn is bonded to four P atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.30–2.37 Å. In the fourth Mn site, Mn is bonded to four P atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. There are two shorter (2.23 Å) and two longer (2.27 Å) Mn–P bond lengths. In the fifth Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.39–2.56 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ThInCu5 by Materials Project

ThCu5In crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to fifteen Cu and four equivalent In atoms. There are a spread of Th–Cu bond distances ranging from 2.94–3.37 Å. There are a spread of Th–In bond distances ranging from 3.32–3.42 Å. There are four inequivalent Cu sites. In the first Cu site, Cu is bonded to three equivalent Th, seven Cu, and two equivalent In atoms to form a mixture of corner, edge, and face-sharing CuTh3In2Cu7 cuboctahedra. There are a spread of Cu–Cu bond distances ranging from 2.51–2.56 Å. There are one shorter (2.80 Å) and one longer (2.82 Å) Cu–In bond lengths. In the second Cu site, Cu is bonded in a 10-coordinate geometry to three equivalent Th, four Cu, and three equivalent In atoms. There are one shorter (2.56 Å) and one longer (2.63 Å) Cu–Cu bond lengths. There are one shorter (2.66 Å) and two longer (3.06 Å) Cu–In bond lengths. In the third Cu site, Cu is bonded to three equivalent Th, seven Cu, and two equivalent In atoms to form a mixture of corner, edge, and face-sharing CuTh3In2Cu7 cuboctahedra. The Cu–Cu bond length is 2.55 Å. Both Cu–In bond lengths are 2.85 Å. In the fourth Cu site, Cu is bonded in a 12-coordinate geometry to three equivalent Th, five Cu, and one In atom. The Cu–In bond length is 2.82 Å. In is bonded in a 1-coordinate geometry to four equivalent Th and ten Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(Ni5P3)2 by Materials Project

Eu(Ni5P3)2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Eu2+ is bonded in a 12-coordinate geometry to eight P3- atoms. There are a spread of Eu–P bond distances ranging from 3.19–3.56 Å. There are four inequivalent Ni+1.60+ sites. In the first Ni+1.60+ site, Ni+1.60+ is bonded in a distorted rectangular see-saw-like geometry to four P3- atoms. There are a spread of Ni–P bond distances ranging from 2.32–2.48 Å. In the second Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of distorted edge and corner-sharing NiP4 tetrahedra. There are two shorter (2.24 Å) and two longer (2.34 Å) Ni–P bond lengths. In the third Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.16–2.29 Å. In the fourth Ni+1.60+ site, Ni+1.60+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing NiP4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.19–2.33 Å. There are three inequivalent P3- sites. In the first P3- site, P3- is bonded in a 6-coordinate geometry to two equivalent Eu2+ and six Ni+1.60+ atoms. In the second P3- site, P3- is bonded in a 6-coordinate geometry to one Eu2+ and six Ni+1.60+ atoms. In the third P3- site, P3- is bonded in a 8-coordinate geometry to one Eu2+ and eight Ni+1.60+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UFe5Sn by Materials Project

UFe5Sn is Bergman Structure: Mg32(Al,Zn)49 Bergman-like structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. U is bonded in a 2-coordinate geometry to fifteen Fe and four equivalent Sn atoms. There are a spread of U–Fe bond distances ranging from 2.61–3.32 Å. There are a spread of U–Sn bond distances ranging from 3.25–3.32 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to three equivalent U, five Fe, and three equivalent Sn atoms. There are a spread of Fe–Fe bond distances ranging from 2.48–2.76 Å. There are one shorter (2.61 Å) and two longer (2.86 Å) Fe–Sn bond lengths. In the second Fe site, Fe is bonded in a 2-coordinate geometry to three equivalent U, six Fe, and one Sn atom. There are a spread of Fe–Fe bond distances ranging from 2.43–2.51 Å. The Fe–Sn bond length is 2.74 Å. In the third Fe site, Fe is bonded to three equivalent U, seven Fe, and two equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing FeU3Fe7Sn2 cuboctahedra. There are a spread of Fe–Fe bond distances ranging from 2.34–2.46 Å. There are one shorter (2.71 Å) and one longer (2.73 Å) Fe–Sn bond lengths. In the fourth Fe site, Fe is bonded to three equivalent U, seven Fe, and two equivalent Sn atoms to form a mixture of distorted face, edge, and corner-sharing FeU3Fe7Sn2 cuboctahedra. Both Fe–Sn bond lengths are 2.66 Å. Sn is bonded in a 1-coordinate geometry to four equivalent U and ten Fe atoms.

36 MATERIALS SCIENCE↗