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Materials Data on Re24Mo5 by Materials Project

Mo5Re24 is alpha-derived structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 3-coordinate geometry to one Mo and fifteen Re atoms. The Mo–Mo bond length is 3.00 Å. There are a spread of Mo–Re bond distances ranging from 2.73–3.25 Å. In the second Mo site, Mo is bonded in a 12-coordinate geometry to four equivalent Mo and twelve equivalent Re atoms. All Mo–Re bond lengths are 3.01 Å. There are two inequivalent Re sites. In the first Re site, Re is bonded in a 1-coordinate geometry to two equivalent Mo and eleven Re atoms. There are a spread of Re–Re bond distances ranging from 2.59–2.91 Å. In the second Re site, Re is bonded in a 12-coordinate geometry to four Mo and eight Re atoms. There are one shorter (2.48 Å) and two longer (2.64 Å) Re–Re bond lengths.

36 MATERIALS SCIENCE↗

Materials Data on Re3Mo by Materials Project

MoRe3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mo is bonded to twelve equivalent Re atoms to form MoRe12 cuboctahedra that share corners with six equivalent MoRe12 cuboctahedra, corners with twelve equivalent ReRe8Mo4 cuboctahedra, edges with eighteen equivalent ReRe8Mo4 cuboctahedra, faces with eight equivalent MoRe12 cuboctahedra, and faces with twelve equivalent ReRe8Mo4 cuboctahedra. All Mo–Re bond lengths are 2.79 Å. Re is bonded to four equivalent Mo and eight equivalent Re atoms to form ReRe8Mo4 cuboctahedra that share corners with four equivalent MoRe12 cuboctahedra, corners with fourteen equivalent ReRe8Mo4 cuboctahedra, edges with six equivalent MoRe12 cuboctahedra, edges with twelve equivalent ReRe8Mo4 cuboctahedra, faces with four equivalent MoRe12 cuboctahedra, and faces with sixteen equivalent ReRe8Mo4 cuboctahedra. There are a spread of Re–Re bond distances ranging from 2.78–2.81 Å.

36 MATERIALS SCIENCE↗

Materials Data on ReMo3 by Materials Project

Mo3Re crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 8-coordinate geometry to two equivalent Mo and two equivalent Re atoms. Both Mo–Mo bond lengths are 2.74 Å. Both Mo–Re bond lengths are 2.73 Å. In the second Mo site, Mo is bonded in a distorted body-centered cubic geometry to eight Mo atoms. All Mo–Mo bond lengths are 2.73 Å. Re is bonded in a 8-coordinate geometry to four equivalent Mo atoms.

36 MATERIALS SCIENCE↗