Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Mg-N-Ta”

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.

5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgTaN2 by Materials Project

MgTaN2 is Caswellsilverite-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Mg2+ is bonded to six N3- atoms to form MgN6 octahedra that share corners with two equivalent TaN6 octahedra, corners with four equivalent MgN6 octahedra, edges with four equivalent MgN6 octahedra, and edges with eight equivalent TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.16 Å) and two longer (2.20 Å) Mg–N bond lengths. Ta4+ is bonded to six N3- atoms to form TaN6 octahedra that share corners with two equivalent MgN6 octahedra, corners with four equivalent TaN6 octahedra, edges with four equivalent TaN6 octahedra, and edges with eight equivalent MgN6 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. There are four shorter (2.16 Å) and two longer (2.24 Å) Ta–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Mg2+ and three equivalent Ta4+ atoms to form a mixture of edge and corner-sharing NMg3Ta3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°. In the second N3- site, N3- is bonded to three equivalent Mg2+ and three equivalent Ta4+ atoms to form a mixture of edge and corner-sharing NMg3Ta3 octahedra. The corner-sharing octahedra tilt angles range from 0–1°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2Ta3N5 by Materials Project

Mg2Ta3N5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six N3- atoms to form MgN6 octahedra that share corners with two equivalent MgN6 octahedra, corners with four TaN6 octahedra, edges with three MgN6 octahedra, and edges with nine TaN6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Mg–N bond distances ranging from 2.12–2.19 Å. In the second Mg2+ site, Mg2+ is bonded to six N3- atoms to form MgN6 octahedra that share corners with two equivalent TaN6 octahedra, corners with four MgN6 octahedra, edges with three MgN6 octahedra, and edges with nine TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are four shorter (2.18 Å) and two longer (2.19 Å) Mg–N bond lengths. There are three inequivalent Ta+3.67+ sites. In the first Ta+3.67+ site, Ta+3.67+ is bonded to six N3- atoms to form TaN6 octahedra that share corners with two equivalent MgN6 octahedra, corners with four TaN6 octahedra, edges with six MgN6 octahedra, and edges with six TaN6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Ta–N bond distances ranging from 2.16–2.21 Å. In the second Ta+3.67+ site, Ta+3.67+ is bonded to six N3- atoms to form TaN6 octahedra that share corners with six TaN6 octahedra, edges with five TaN6 octahedra, and edges with seven MgN6 octahedra. The corner-sharing octahedra tilt angles range from 0–3°. There are a spread of Ta–N bond distances ranging from 2.15–2.22 Å. In the third Ta+3.67+ site, Ta+3.67+ is bonded to six N3- atoms to form TaN6 octahedra that share corners with two equivalent TaN6 octahedra, corners with four MgN6 octahedra, edges with five MgN6 octahedra, and edges with seven TaN6 octahedra. The corner-sharing octahedra tilt angles range from 1–3°. There are a spread of Ta–N bond distances ranging from 2.16–2.23 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to three Mg2+ and three Ta+3.67+ atoms to form NMg3Ta3 octahedra that share corners with six NMg3Ta3 octahedra and edges with twelve NMg2Ta4 octahedra. The corner-sharing octahedra tilt angles range from 1–4°. In the second N3- site, N3- is bonded to two equivalent Mg2+ and four Ta+3.67+ atoms to form a mixture of edge and corner-sharing NMg2Ta4 octahedra. The corner-sharing octahedra tilt angles range from 2–4°. In the third N3- site, N3- is bonded to two equivalent Mg2+ and four Ta+3.67+ atoms to form a mixture of edge and corner-sharing NMg2Ta4 octahedra. The corner-sharing octahedra tilt angles range from 1–2°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgTa2N3 by Materials Project

MgTa2N3 is Caswellsilverite-like structured and crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent N3- atoms to form MgN6 octahedra that share corners with six equivalent TaN6 pentagonal pyramids, edges with three equivalent MgN6 octahedra, edges with three equivalent TaN6 octahedra, and edges with six equivalent TaN6 pentagonal pyramids. All Mg–N bond lengths are 2.16 Å. There are two inequivalent Ta+3.50+ sites. In the first Ta+3.50+ site, Ta+3.50+ is bonded to six equivalent N3- atoms to form distorted TaN6 pentagonal pyramids that share corners with two equivalent TaN6 octahedra, corners with four equivalent MgN6 octahedra, edges with two equivalent TaN6 octahedra, edges with four equivalent MgN6 octahedra, and edges with six equivalent TaN6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 2–3°. There are four shorter (2.21 Å) and two longer (2.22 Å) Ta–N bond lengths. In the second Ta+3.50+ site, Ta+3.50+ is bonded to six equivalent N3- atoms to form TaN6 octahedra that share corners with six equivalent TaN6 pentagonal pyramids, edges with six equivalent MgN6 octahedra, and edges with six equivalent TaN6 pentagonal pyramids. All Ta–N bond lengths are 2.14 Å. N3- is bonded to two equivalent Mg2+ and four Ta+3.50+ atoms to form a mixture of face, edge, and corner-sharing NMg2Ta4 octahedra. The corner-sharing octahedra tilt angles range from 0–48°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgTaN2 by Materials Project

MgTaN2 is Caswellsilverite-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg2+ is bonded to six N3- atoms to form MgN6 octahedra that share corners with six equivalent MgN6 octahedra, edges with four equivalent MgN6 octahedra, and edges with eight equivalent TaN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.15 Å) and four longer (2.19 Å) Mg–N bond lengths. Ta4+ is bonded to six N3- atoms to form TaN6 octahedra that share corners with six equivalent TaN6 octahedra, edges with four equivalent TaN6 octahedra, and edges with eight equivalent MgN6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.15 Å) and four longer (2.19 Å) Ta–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to two equivalent Mg2+ and four equivalent Ta4+ atoms to form a mixture of edge and corner-sharing NMg2Ta4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second N3- site, N3- is bonded to four equivalent Mg2+ and two equivalent Ta4+ atoms to form NMg4Ta2 octahedra that share corners with six equivalent NMg4Ta2 octahedra and edges with twelve NMg2Ta4 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2TaN3 by Materials Project

Mg2TaN3 is Enargite-like structured and crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Mg2+ is bonded to four N3- atoms to form MgN4 tetrahedra that share corners with five equivalent TaN4 tetrahedra and corners with seven equivalent MgN4 tetrahedra. There are a spread of Mg–N bond distances ranging from 2.09–2.17 Å. Ta5+ is bonded to four N3- atoms to form TaN4 tetrahedra that share corners with two equivalent TaN4 tetrahedra and corners with ten equivalent MgN4 tetrahedra. There are a spread of Ta–N bond distances ranging from 1.92–2.01 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to three equivalent Mg2+ and one Ta5+ atom to form corner-sharing NMg3Ta tetrahedra. In the second N3- site, N3- is bonded to two equivalent Mg2+ and two equivalent Ta5+ atoms to form corner-sharing NMg2Ta2 tetrahedra.

36 MATERIALS SCIENCE↗