Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “MgZr3”

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.

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on MgZr3 by Materials Project

MgZr3 is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Zr atoms to form MgZr12 cuboctahedra that share corners with six equivalent MgZr12 cuboctahedra, corners with twelve equivalent ZrMg4Zr8 cuboctahedra, edges with eighteen equivalent ZrMg4Zr8 cuboctahedra, faces with eight equivalent MgZr12 cuboctahedra, and faces with twelve equivalent ZrMg4Zr8 cuboctahedra. There are six shorter (3.16 Å) and six longer (3.18 Å) Mg–Zr bond lengths. Zr is bonded to four equivalent Mg and eight equivalent Zr atoms to form ZrMg4Zr8 cuboctahedra that share corners with four equivalent MgZr12 cuboctahedra, corners with fourteen equivalent ZrMg4Zr8 cuboctahedra, edges with six equivalent MgZr12 cuboctahedra, edges with twelve equivalent ZrMg4Zr8 cuboctahedra, faces with four equivalent MgZr12 cuboctahedra, and faces with sixteen equivalent ZrMg4Zr8 cuboctahedra. There are a spread of Zr–Zr bond distances ranging from 3.15–3.21 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgZr3 by Materials Project

MgZr3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a distorted body-centered cubic geometry to fourteen Zr atoms. There are eight shorter (3.07 Å) and six longer (3.55 Å) Mg–Zr bond lengths. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted body-centered cubic geometry to six equivalent Mg and eight equivalent Zr atoms. All Zr–Zr bond lengths are 3.07 Å. In the second Zr site, Zr is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Zr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgZr3 by Materials Project

MgZr3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg is bonded to twelve equivalent Zr atoms to form MgZr12 cuboctahedra that share corners with twelve equivalent MgZr12 cuboctahedra, edges with twenty-four equivalent ZrMg4Zr8 cuboctahedra, faces with six equivalent MgZr12 cuboctahedra, and faces with twelve equivalent ZrMg4Zr8 cuboctahedra. All Mg–Zr bond lengths are 3.16 Å. Zr is bonded to four equivalent Mg and eight equivalent Zr atoms to form ZrMg4Zr8 cuboctahedra that share corners with twelve equivalent ZrMg4Zr8 cuboctahedra, edges with eight equivalent MgZr12 cuboctahedra, edges with sixteen equivalent ZrMg4Zr8 cuboctahedra, faces with four equivalent MgZr12 cuboctahedra, and faces with fourteen equivalent ZrMg4Zr8 cuboctahedra. All Zr–Zr bond lengths are 3.16 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgZr3 by Materials Project

MgZr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Zr atoms to form MgZr12 cuboctahedra that share corners with four equivalent MgZr12 cuboctahedra, corners with eight equivalent ZrMg4Zr8 cuboctahedra, edges with eight equivalent MgZr12 cuboctahedra, edges with sixteen equivalent ZrMg4Zr8 cuboctahedra, faces with four equivalent MgZr12 cuboctahedra, and faces with fourteen ZrMg4Zr8 cuboctahedra. There are four shorter (3.15 Å) and eight longer (3.18 Å) Mg–Zr bond lengths. There are two inequivalent Zr sites. In the first Zr site, Zr is bonded to four equivalent Mg and eight equivalent Zr atoms to form ZrMg4Zr8 cuboctahedra that share corners with four equivalent ZrMg4Zr8 cuboctahedra, corners with eight equivalent MgZr12 cuboctahedra, edges with twenty-four ZrMg4Zr8 cuboctahedra, faces with six equivalent MgZr12 cuboctahedra, and faces with twelve ZrMg4Zr8 cuboctahedra. All Zr–Zr bond lengths are 3.18 Å. In the second Zr site, Zr is bonded to four equivalent Mg and eight Zr atoms to form ZrMg4Zr8 cuboctahedra that share corners with twelve equivalent ZrMg4Zr8 cuboctahedra, edges with eight equivalent MgZr12 cuboctahedra, edges with sixteen ZrMg4Zr8 cuboctahedra, faces with four equivalent MgZr12 cuboctahedra, and faces with fourteen ZrMg4Zr8 cuboctahedra. All Zr–Zr bond lengths are 3.15 Å.

36 MATERIALS SCIENCE↗