Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “cubic crystals”

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 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on SrCaO3 by Materials Project

SrCaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent CaO6 octahedra. All Sr–O bond lengths are 3.09 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.19 Å. O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on SrAlO3 by Materials Project

SrAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sr is bonded to twelve equivalent O atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, and faces with eight equivalent AlO6 octahedra. All Sr–O bond lengths are 2.71 Å. Al is bonded to six equivalent O atoms to form AlO6 octahedra that share corners with six equivalent AlO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–O bond lengths are 1.92 Å. O is bonded in a distorted linear geometry to four equivalent Sr and two equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KCaO3 by Materials Project

KCaO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to twelve equivalent O atoms to form KO12 cuboctahedra that share corners with twelve equivalent KO12 cuboctahedra, faces with six equivalent KO12 cuboctahedra, and faces with eight equivalent CaO6 octahedra. All K–O bond lengths are 3.23 Å. Ca is bonded to six equivalent O atoms to form CaO6 octahedra that share corners with six equivalent CaO6 octahedra and faces with eight equivalent KO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ca–O bond lengths are 2.28 Å. O is bonded in a distorted linear geometry to four equivalent K and two equivalent Ca atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on LiBeO3 by Materials Project

LiBeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Li is bonded to twelve equivalent O atoms to form LiO12 cuboctahedra that share corners with twelve equivalent LiO12 cuboctahedra, faces with six equivalent LiO12 cuboctahedra, and faces with eight equivalent BeO6 octahedra. All Li–O bond lengths are 2.48 Å. Be is bonded to six equivalent O atoms to form BeO6 octahedra that share corners with six equivalent BeO6 octahedra and faces with eight equivalent LiO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Be–O bond lengths are 1.75 Å. O is bonded in a distorted linear geometry to four equivalent Li and two equivalent Be atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on EuAsO3 by Materials Project

EuAsO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Eu3+ is bonded to twelve equivalent O2- atoms to form EuO12 cuboctahedra that share corners with twelve equivalent EuO12 cuboctahedra, faces with six equivalent EuO12 cuboctahedra, and faces with eight equivalent AsO6 octahedra. All Eu–O bond lengths are 2.83 Å. As3+ is bonded to six equivalent O2- atoms to form AsO6 octahedra that share corners with six equivalent AsO6 octahedra and faces with eight equivalent EuO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All As–O bond lengths are 2.00 Å. O2- is bonded in a distorted linear geometry to four equivalent Eu3+ and two equivalent As3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3BrO by Materials Project

Na3OBr is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Na1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent Br1- atoms. Both Na–O bond lengths are 2.30 Å. All Na–Br bond lengths are 3.25 Å. O2- is bonded to six equivalent Na1+ atoms to form ONa6 octahedra that share corners with six equivalent ONa6 octahedra and faces with eight equivalent BrNa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. Br1- is bonded to twelve equivalent Na1+ atoms to form BrNa12 cuboctahedra that share corners with twelve equivalent BrNa12 cuboctahedra, faces with six equivalent BrNa12 cuboctahedra, and faces with eight equivalent ONa6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlNiO3 by Materials Project

NiAlO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ni3+ is bonded to six equivalent O2- atoms to form NiO6 octahedra that share corners with six equivalent NiO6 octahedra and faces with eight equivalent AlO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 1.83 Å. Al3+ is bonded to twelve equivalent O2- atoms to form AlO12 cuboctahedra that share corners with twelve equivalent AlO12 cuboctahedra, faces with six equivalent AlO12 cuboctahedra, and faces with eight equivalent NiO6 octahedra. All Al–O bond lengths are 2.59 Å. O2- is bonded in a linear geometry to two equivalent Ni3+ and four equivalent Al3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YAgO3 by Materials Project

YAgO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Y3+ is bonded to twelve equivalent O2- atoms to form YO12 cuboctahedra that share corners with twelve equivalent YO12 cuboctahedra, faces with six equivalent YO12 cuboctahedra, and faces with eight equivalent AgO6 octahedra. All Y–O bond lengths are 2.87 Å. Ag3+ is bonded to six equivalent O2- atoms to form AgO6 octahedra that share corners with six equivalent AgO6 octahedra and faces with eight equivalent YO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ag–O bond lengths are 2.03 Å. O2- is bonded in a distorted linear geometry to four equivalent Y3+ and two equivalent Ag3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3PN by Materials Project

Ba3PN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to four equivalent P3- and two equivalent N3- atoms. All Ba–P bond lengths are 3.85 Å. Both Ba–N bond lengths are 2.73 Å. P3- is bonded to twelve equivalent Ba2+ atoms to form PBa12 cuboctahedra that share corners with twelve equivalent PBa12 cuboctahedra, faces with six equivalent PBa12 cuboctahedra, and faces with eight equivalent NBa6 octahedra. N3- is bonded to six equivalent Ba2+ atoms to form NBa6 octahedra that share corners with six equivalent NBa6 octahedra and faces with eight equivalent PBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3SbAs by Materials Project

Ca3SbAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent As3- atoms. All Ca–Sb bond lengths are 3.88 Å. Both Ca–As bond lengths are 2.74 Å. Sb3- is bonded to twelve equivalent Ca2+ atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent SbCa12 cuboctahedra, faces with six equivalent SbCa12 cuboctahedra, and faces with eight equivalent AsCa6 octahedra. As3- is bonded to six equivalent Ca2+ atoms to form AsCa6 octahedra that share corners with six equivalent AsCa6 octahedra and faces with eight equivalent SbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3BiAs by Materials Project

Ca3BiAs is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Bi and two equivalent As atoms. All Ca–Bi bond lengths are 3.91 Å. Both Ca–As bond lengths are 2.77 Å. Bi is bonded to twelve equivalent Ca atoms to form BiCa12 cuboctahedra that share corners with twelve equivalent BiCa12 cuboctahedra, faces with six equivalent BiCa12 cuboctahedra, and faces with eight equivalent AsCa6 octahedra. As is bonded to six equivalent Ca atoms to form AsCa6 octahedra that share corners with six equivalent AsCa6 octahedra and faces with eight equivalent BiCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3SbN by Materials Project

SbNCa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent N3- atoms. All Ca–Sb bond lengths are 3.45 Å. Both Ca–N bond lengths are 2.44 Å. Sb3- is bonded to twelve equivalent Ca2+ atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent SbCa12 cuboctahedra, faces with six equivalent SbCa12 cuboctahedra, and faces with eight equivalent NCa6 octahedra. N3- is bonded to six equivalent Ca2+ atoms to form NCa6 octahedra that share corners with six equivalent NCa6 octahedra and faces with eight equivalent SbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3BiN by Materials Project

BiNBa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Bi and two equivalent N atoms. All Ba–Bi bond lengths are 3.97 Å. Both Ba–N bond lengths are 2.81 Å. Bi is bonded to twelve equivalent Ba atoms to form BiBa12 cuboctahedra that share corners with twelve equivalent BiBa12 cuboctahedra, faces with six equivalent BiBa12 cuboctahedra, and faces with eight equivalent NBa6 octahedra. N is bonded to six equivalent Ba atoms to form NBa6 octahedra that share corners with six equivalent NBa6 octahedra and faces with eight equivalent BiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3SbP by Materials Project

Ca3SbP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent P3- atoms. All Ca–Sb bond lengths are 3.81 Å. Both Ca–P bond lengths are 2.69 Å. Sb3- is bonded to twelve equivalent Ca2+ atoms to form SbCa12 cuboctahedra that share corners with twelve equivalent SbCa12 cuboctahedra, faces with six equivalent SbCa12 cuboctahedra, and faces with eight equivalent PCa6 octahedra. P3- is bonded to six equivalent Ca2+ atoms to form PCa6 octahedra that share corners with six equivalent PCa6 octahedra and faces with eight equivalent SbCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3SbN by Materials Project

SbNBa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to four equivalent Sb3- and two equivalent N3- atoms. All Ba–Sb bond lengths are 3.94 Å. Both Ba–N bond lengths are 2.79 Å. Sb3- is bonded to twelve equivalent Ba2+ atoms to form SbBa12 cuboctahedra that share corners with twelve equivalent SbBa12 cuboctahedra, faces with six equivalent SbBa12 cuboctahedra, and faces with eight equivalent NBa6 octahedra. N3- is bonded to six equivalent Ba2+ atoms to form NBa6 octahedra that share corners with six equivalent NBa6 octahedra and faces with eight equivalent SbBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3BiP by Materials Project

Ca3BiP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded in a linear geometry to four equivalent Bi and two equivalent P atoms. All Ca–Bi bond lengths are 3.84 Å. Both Ca–P bond lengths are 2.71 Å. Bi is bonded to twelve equivalent Ca atoms to form BiCa12 cuboctahedra that share corners with twelve equivalent BiCa12 cuboctahedra, faces with six equivalent BiCa12 cuboctahedra, and faces with eight equivalent PCa6 octahedra. P is bonded to six equivalent Ca atoms to form PCa6 octahedra that share corners with six equivalent PCa6 octahedra and faces with eight equivalent BiCa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3BiP by Materials Project

Ba3BiP is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba is bonded in a linear geometry to four equivalent Bi and two equivalent P atoms. All Ba–Bi bond lengths are 4.34 Å. Both Ba–P bond lengths are 3.07 Å. Bi is bonded to twelve equivalent Ba atoms to form BiBa12 cuboctahedra that share corners with twelve equivalent BiBa12 cuboctahedra, faces with six equivalent BiBa12 cuboctahedra, and faces with eight equivalent PBa6 octahedra. P is bonded to six equivalent Ba atoms to form PBa6 octahedra that share corners with six equivalent PBa6 octahedra and faces with eight equivalent BiBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba3AsN by Materials Project

AsNBa3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ba2+ is bonded in a linear geometry to four equivalent As3- and two equivalent N3- atoms. All Ba–As bond lengths are 3.88 Å. Both Ba–N bond lengths are 2.74 Å. As3- is bonded to twelve equivalent Ba2+ atoms to form AsBa12 cuboctahedra that share corners with twelve equivalent AsBa12 cuboctahedra, faces with six equivalent AsBa12 cuboctahedra, and faces with eight equivalent NBa6 octahedra. N3- is bonded to six equivalent Ba2+ atoms to form NBa6 octahedra that share corners with six equivalent NBa6 octahedra and faces with eight equivalent AsBa12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗