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24 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Al6Fe by Materials Project

Al6Fe crystallizes in the orthorhombic Cmc2_1 space group. The structure is three-dimensional. Fe is bonded in a distorted q6 geometry to ten Al atoms. There are a spread of Fe–Al bond distances ranging from 2.43–2.61 Å. There are four inequivalent Al sites. In the first Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and nine Al atoms. There are a spread of Al–Al bond distances ranging from 2.64–2.90 Å. In the second Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the third Al site, Al is bonded in a 1-coordinate geometry to one Fe and four equivalent Al atoms. In the fourth Al site, Al is bonded in a 2-coordinate geometry to two equivalent Fe and four equivalent Al atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al3Fe by Materials Project

FeAl3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Fe is bonded to twelve equivalent Al atoms to form FeAl12 cuboctahedra that share corners with six equivalent FeAl12 cuboctahedra, corners with twelve equivalent AlAl8Fe4 cuboctahedra, edges with eighteen equivalent AlAl8Fe4 cuboctahedra, faces with eight equivalent FeAl12 cuboctahedra, and faces with twelve equivalent AlAl8Fe4 cuboctahedra. There are six shorter (2.66 Å) and six longer (2.69 Å) Fe–Al bond lengths. Al is bonded to four equivalent Fe and eight equivalent Al atoms to form AlAl8Fe4 cuboctahedra that share corners with four equivalent FeAl12 cuboctahedra, corners with fourteen equivalent AlAl8Fe4 cuboctahedra, edges with six equivalent FeAl12 cuboctahedra, edges with twelve equivalent AlAl8Fe4 cuboctahedra, faces with four equivalent FeAl12 cuboctahedra, and faces with sixteen equivalent AlAl8Fe4 cuboctahedra. There are a spread of Al–Al bond distances ranging from 2.61–2.76 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlFe by Materials Project

FeAl crystallizes in the hexagonal P6/mmm space group. The structure is one-dimensional and consists of one FeAl ribbon oriented in the (0, 0, 1) direction. Fe is bonded in a distorted linear geometry to two equivalent Al atoms. Both Fe–Al bond lengths are 2.45 Å. Al is bonded in a distorted linear geometry to two equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlFe2 by Materials Project

Fe2Al crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Fe is bonded in a distorted q6 geometry to five equivalent Fe and six equivalent Al atoms. There are three shorter (2.39 Å) and two longer (2.55 Å) Fe–Fe bond lengths. All Fe–Al bond lengths are 2.71 Å. Al is bonded in a 12-coordinate geometry to twelve equivalent Fe and two equivalent Al atoms. Both Al–Al bond lengths are 2.55 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al8Fe5 by Materials Project

Fe5Al8 is gamma-brass structured and crystallizes in the cubic I-43m space group. The structure is three-dimensional. there are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 9-coordinate geometry to three equivalent Fe and nine Al atoms. All Fe–Fe bond lengths are 2.69 Å. There are six shorter (2.54 Å) and three longer (2.59 Å) Fe–Al bond lengths. In the second Fe site, Fe is bonded in a 4-coordinate geometry to three Fe and ten Al atoms. The Fe–Fe bond length is 2.47 Å. There are a spread of Fe–Al bond distances ranging from 2.52–2.83 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 12-coordinate geometry to six Fe and six Al atoms. There are three shorter (2.63 Å) and three longer (2.64 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 11-coordinate geometry to six Fe and five Al atoms. All Al–Al bond lengths are 2.63 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlFe3 by Materials Project

Fe3Al is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Fe is bonded to eight equivalent Fe and four equivalent Al atoms to form FeAl4Fe8 cuboctahedra that share corners with twelve equivalent FeAl4Fe8 cuboctahedra, edges with eight equivalent AlFe12 cuboctahedra, edges with sixteen equivalent FeAl4Fe8 cuboctahedra, faces with four equivalent AlFe12 cuboctahedra, and faces with fourteen equivalent FeAl4Fe8 cuboctahedra. All Fe–Fe bond lengths are 2.58 Å. All Fe–Al bond lengths are 2.58 Å. Al is bonded to twelve equivalent Fe atoms to form AlFe12 cuboctahedra that share corners with twelve equivalent AlFe12 cuboctahedra, edges with twenty-four equivalent FeAl4Fe8 cuboctahedra, faces with six equivalent AlFe12 cuboctahedra, and faces with twelve equivalent FeAl4Fe8 cuboctahedra.

36 MATERIALS SCIENCE↗