SEARCH · Search NASA
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.
Zr2Fe crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 4-coordinate geometry to four equivalent Fe atoms. All Zr–Fe bond lengths are 2.72 Å. Fe is bonded in a 10-coordinate geometry to eight equivalent Zr atoms.
ZrFe2 is Cubic Laves structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to four equivalent Zr and twelve equivalent Fe atoms. All Zr–Zr bond lengths are 3.05 Å. All Zr–Fe bond lengths are 2.92 Å. Fe is bonded to six equivalent Zr and six equivalent Fe atoms to form a mixture of corner, edge, and face-sharing FeZr6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.49 Å.
Zr2Fe crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to six equivalent Fe atoms. All Zr–Fe bond lengths are 2.71 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to four equivalent Fe atoms. There are two shorter (2.71 Å) and two longer (3.10 Å) Zr–Fe bond lengths. Fe is bonded in a 9-coordinate geometry to nine Zr atoms.
Zr3Fe crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four Zr3Fe ribbons oriented in the (1, 0, 0) direction. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Both Zr–Fe bond lengths are 2.60 Å. In the second Zr site, Zr is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Both Zr–Fe bond lengths are 2.65 Å. Fe is bonded in a 6-coordinate geometry to six Zr atoms.
Fe23Zr6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Zr is bonded in a 12-coordinate geometry to twelve Fe atoms. There are a spread of Zr–Fe bond distances ranging from 2.85–2.97 Å. There are four inequivalent Fe sites. In the first Fe site, Fe is bonded in a body-centered cubic geometry to eight equivalent Fe atoms. All Fe–Fe bond lengths are 2.46 Å. In the second Fe site, Fe is bonded in a distorted q6 geometry to three equivalent Zr and nine Fe atoms. There are a spread of Fe–Fe bond distances ranging from 2.39–2.56 Å. In the third Fe site, Fe is bonded to four equivalent Zr and eight Fe atoms to form a mixture of face and corner-sharing FeZr4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.56 Å. In the fourth Fe site, Fe is bonded in a 10-coordinate geometry to three equivalent Zr and ten Fe atoms. All Fe–Fe bond lengths are 2.85 Å.
ZrFe2 is Hexagonal Laves-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Zr sites. In the first Zr site, Zr is bonded in a 12-coordinate geometry to twelve Fe atoms. There are three shorter (2.91 Å) and nine longer (2.93 Å) Zr–Fe bond lengths. In the second Zr site, Zr is bonded in a 12-coordinate geometry to twelve Fe atoms. There are three shorter (2.92 Å) and nine longer (2.93 Å) Zr–Fe bond lengths. There are three inequivalent Fe sites. In the first Fe site, Fe is bonded to six Zr and six Fe atoms to form a mixture of face, edge, and corner-sharing FeZr6Fe6 cuboctahedra. There are three shorter (2.49 Å) and three longer (2.50 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to six Zr and six Fe atoms to form a mixture of face, edge, and corner-sharing FeZr6Fe6 cuboctahedra. All Fe–Fe bond lengths are 2.50 Å. In the third Fe site, Fe is bonded to six Zr and six Fe atoms to form a mixture of face, edge, and corner-sharing FeZr6Fe6 cuboctahedra. There are two shorter (2.47 Å) and two longer (2.53 Å) Fe–Fe bond lengths.