Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Sr4CaYCu6(PbO4)4”

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.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr4CaYCu6(PbO4)4 by Materials Project

Sr4CaYCu6(PbO4)4 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.66–2.77 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.64–2.75 Å. Ca2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Ca–O bond lengths are 2.48 Å. Y3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Y–O bond lengths are 2.42 Å. There are two inequivalent Cu+1.83+ sites. In the first Cu+1.83+ site, Cu+1.83+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one PbO5 square pyramid and corners with four equivalent CuO5 square pyramids. There are four shorter (1.92 Å) and one longer (2.33 Å) Cu–O bond lengths. In the second Cu+1.83+ site, Cu+1.83+ is bonded in a linear geometry to two O2- atoms. Both Cu–O bond lengths are 1.86 Å. Pb2+ is bonded to five O2- atoms to form PbO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with four equivalent PbO5 square pyramids, and edges with four equivalent PbO5 square pyramids. There are one shorter (2.18 Å) and four longer (2.70 Å) Pb–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sr2+, one Cu+1.83+, and one Pb2+ atom to form distorted OSr4CuPb octahedra that share corners with twelve OSr4CuPb octahedra, edges with eight OSr4CuPb octahedra, and faces with four equivalent OSr2CaYCu2 octahedra. The corner-sharing octahedra tilt angles range from 22–52°. In the second O2- site, O2- is bonded to two Sr2+, one Ca2+, one Y3+, and two equivalent Cu+1.83+ atoms to form distorted OSr2CaYCu2 octahedra that share corners with fourteen OSr4CuPb octahedra, edges with three equivalent OSr2CaYCu2 octahedra, and faces with six OSr4CuPb octahedra. The corner-sharing octahedra tilt angles range from 0–68°. In the third O2- site, O2- is bonded to one Sr2+, one Cu+1.83+, and four equivalent Pb2+ atoms to form distorted OSrCuPb4 octahedra that share corners with nine OSr2CaYCu2 octahedra and edges with eight OSr4CuPb octahedra. The corner-sharing octahedra tilt angles range from 0–45°. In the fourth O2- site, O2- is bonded to one Sr2+, one Cu+1.83+, and four equivalent Pb2+ atoms to form distorted OSrCuPb4 octahedra that share corners with nine OSrCuPb4 octahedra and edges with eight OSr4CuPb octahedra. The corner-sharing octahedra tilt angles range from 0–43°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr4CaYCu6(PbO4)4 by Materials Project

Sr4CaYCu6(PbO4)4 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.65–2.81 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.71–2.81 Å. Ca2+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.47 Å) and two longer (2.48 Å) Ca–O bond lengths. Y3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.40–2.42 Å. There are four inequivalent Cu+1.83+ sites. In the first Cu+1.83+ site, Cu+1.83+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. In the second Cu+1.83+ site, Cu+1.83+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one PbO5 square pyramid and corners with four equivalent CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.91–2.32 Å. In the third Cu+1.83+ site, Cu+1.83+ is bonded in a linear geometry to two equivalent O2- atoms. Both Cu–O bond lengths are 1.86 Å. In the fourth Cu+1.83+ site, Cu+1.83+ is bonded to five O2- atoms to form CuO5 square pyramids that share a cornercorner with one PbO5 square pyramid and corners with four equivalent CuO5 square pyramids. There are a spread of Cu–O bond distances ranging from 1.91–2.33 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to five O2- atoms to form distorted PbO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with four equivalent PbO5 square pyramids, and edges with four equivalent PbO5 square pyramids. There are a spread of Pb–O bond distances ranging from 2.18–3.06 Å. In the second Pb2+ site, Pb2+ is bonded to five O2- atoms to form distorted PbO5 square pyramids that share a cornercorner with one CuO5 square pyramid, corners with four equivalent PbO5 square pyramids, and edges with four equivalent PbO5 square pyramids. There are a spread of Pb–O bond distances ranging from 2.18–3.07 Å. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded to two Sr2+, one Ca2+, one Y3+, and two Cu+1.83+ atoms to form distorted OSr2CaYCu2 octahedra that share corners with eight OSr2CaYCu2 octahedra, edges with three equivalent OSr2CaYCu2 octahedra, and faces with two OSr4CuPb octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the second O2- site, O2- is bonded in a 6-coordinate geometry to two Sr2+, one Ca2+, one Y3+, and two Cu+1.83+ atoms. In the third O2- site, O2- is bonded to four Sr2+, one Cu+1.83+, and one Pb2+ atom to form distorted OSr4CuPb octahedra that share corners with eight OSr2CaYCu2 octahedra, edges with four equivalent OSr4CuPb octahedra, and faces with two OSr2CaYCu2 octahedra. The corner-sharing octahedra tilt angles range from 21–53°. In the fourth O2- site, O2- is bonded to four Sr2+, one Cu+1.83+, and one Pb2+ atom to form distorted OSr4CuPb octahedra that share corners with eight OSr2CaYCu2 octahedra, edges with four equivalent OSr4CuPb octahedra, and faces with two OSr2CaYCu2 octahedra. The corner-sharing octahedra tilt angles range from 21–53°. In the fifth O2- site, O2- is bonded in a 6-coordinate geometry to two Sr2+, one Ca2+, one Y3+, and two Cu+1.83+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Cu+1.83+, and four Pb2+ atoms. In the seventh O2- site, O2- is bonded to two Sr2+, one Ca2+, one Y3+, and two Cu+1.83+ atoms to form distorted OSr2CaYCu2 octahedra that share corners with eight OSr2CaYCu2 octahedra, edges with three equivalent OSr2CaYCu2 octahedra, and faces with two OSr4CuPb octahedra. The corner-sharing octahedra tilt angles range from 0–53°. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Sr2+, one Cu+1.83+, and four Pb2+ atoms.

36 MATERIALS SCIENCE↗