Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cl-K-Mg”

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 K2MgCl4 by Materials Project

K2MgCl4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.12–3.55 Å. Mg2+ is bonded to six Cl1- atoms to form corner-sharing MgCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.50 Å) and two longer (2.51 Å) Mg–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent K1+ and two equivalent Mg2+ atoms to form a mixture of distorted edge, face, and corner-sharing ClK4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°. In the second Cl1- site, Cl1- is bonded to five equivalent K1+ and one Mg2+ atom to form distorted ClK5Mg octahedra that share corners with seventeen ClK4Mg2 octahedra, edges with eight equivalent ClK5Mg octahedra, and faces with four equivalent ClK4Mg2 octahedra. The corner-sharing octahedra tilt angles range from 0–55°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KMgCl3 by Materials Project

KMgCl3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to eight Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.19–3.49 Å. Mg2+ is bonded to six Cl1- atoms to form corner-sharing MgCl6 octahedra. The corner-sharing octahedra tilt angles range from 16–20°. All Mg–Cl bond lengths are 2.53 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 5-coordinate geometry to three equivalent K1+ and two equivalent Mg2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3Mg2Cl7 by Materials Project

K3Mg2Cl7 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine Cl1- atoms. There are a spread of K–Cl bond distances ranging from 3.16–3.56 Å. In the second K1+ site, K1+ is bonded to twelve Cl1- atoms to form KCl12 cuboctahedra that share corners with four equivalent KCl12 cuboctahedra, faces with four equivalent KCl12 cuboctahedra, and faces with eight equivalent MgCl6 octahedra. There are eight shorter (3.53 Å) and four longer (3.55 Å) K–Cl bond lengths. Mg2+ is bonded to six Cl1- atoms to form MgCl6 octahedra that share corners with five equivalent MgCl6 octahedra and faces with four equivalent KCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Mg–Cl bond distances ranging from 2.49–2.54 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four K1+ and two equivalent Mg2+ atoms. In the second Cl1- site, Cl1- is bonded to five equivalent K1+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing ClK5Mg octahedra. The corner-sharing octahedral tilt angles are 9°. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent K1+ and two equivalent Mg2+ atoms.

36 MATERIALS SCIENCE↗