Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “F-K-Mg-Na”

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.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on KNaMg2F6 by Materials Project

KNaMg2F6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. K1+ is bonded to twelve F1- atoms to form KF12 cuboctahedra that share corners with four equivalent KF12 cuboctahedra, corners with eight equivalent NaF12 cuboctahedra, faces with two equivalent NaF12 cuboctahedra, faces with four equivalent KF12 cuboctahedra, and faces with eight equivalent MgF6 octahedra. There are four shorter (2.83 Å) and eight longer (2.87 Å) K–F bond lengths. Na1+ is bonded to twelve F1- atoms to form NaF12 cuboctahedra that share corners with four equivalent NaF12 cuboctahedra, corners with eight equivalent KF12 cuboctahedra, faces with two equivalent KF12 cuboctahedra, faces with four equivalent NaF12 cuboctahedra, and faces with eight equivalent MgF6 octahedra. There are eight shorter (2.79 Å) and four longer (2.83 Å) Na–F bond lengths. Mg2+ is bonded to six F1- atoms to form MgF6 octahedra that share corners with six equivalent MgF6 octahedra, faces with four equivalent KF12 cuboctahedra, and faces with four equivalent NaF12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are a spread of Mg–F bond distances ranging from 1.97–2.03 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent K1+, two equivalent Na1+, and two equivalent Mg2+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Na1+ and two equivalent Mg2+ atoms. In the third F1- site, F1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KNaMg2F6 by Materials Project

KNaMg2F6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent NaF12 cuboctahedra, and faces with eight equivalent MgF6 octahedra. All K–F bond lengths are 2.83 Å. Na1+ is bonded to twelve equivalent F1- atoms to form NaF12 cuboctahedra that share corners with twelve equivalent NaF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with eight equivalent MgF6 octahedra. All Na–F bond lengths are 2.83 Å. Mg2+ is bonded to six equivalent F1- atoms to form MgF6 octahedra that share corners with six equivalent MgF6 octahedra, faces with four equivalent KF12 cuboctahedra, and faces with four equivalent NaF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–F bond lengths are 2.00 Å. F1- is bonded in a distorted linear geometry to two equivalent K1+, two equivalent Na1+, and two equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KNa3Mg4F12 by Materials Project

KNa3Mg4F12 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic Pm space group. The structure is three-dimensional. K1+ is bonded in a 12-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.56–2.99 Å. There are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.40–2.79 Å. In the second Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.38–2.67 Å. In the third Na1+ site, Na1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of Na–F bond distances ranging from 2.37–2.75 Å. There are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 16–28°. There are a spread of Mg–F bond distances ranging from 1.99–2.04 Å. In the second Mg2+ site, Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedra tilt angles range from 18–28°. There are a spread of Mg–F bond distances ranging from 1.98–2.05 Å. There are eight inequivalent F1- sites. In the first F1- site, F1- is bonded in a 5-coordinate geometry to one K1+, two Na1+, and two Mg2+ atoms. In the second F1- site, F1- is bonded in a 5-coordinate geometry to one K1+, two Na1+, and two Mg2+ atoms. In the third F1- site, F1- is bonded in a 5-coordinate geometry to three Na1+ and two Mg2+ atoms. In the fourth F1- site, F1- is bonded in a 5-coordinate geometry to one K1+, two Na1+, and two Mg2+ atoms. In the fifth F1- site, F1- is bonded in a 5-coordinate geometry to two equivalent K1+, one Na1+, and two equivalent Mg2+ atoms. In the sixth F1- site, F1- is bonded in a 4-coordinate geometry to two equivalent K1+, one Na1+, and two equivalent Mg2+ atoms. In the seventh F1- site, F1- is bonded in a 4-coordinate geometry to two Na1+ and two equivalent Mg2+ atoms. In the eighth F1- site, F1- is bonded in a distorted tetrahedral geometry to two Na1+ and two equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗