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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on YInRh by Materials Project

YRhIn crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Y is bonded in a 11-coordinate geometry to five Rh and six equivalent In atoms. There are four shorter (3.02 Å) and one longer (3.07 Å) Y–Rh bond lengths. There are two shorter (3.22 Å) and four longer (3.34 Å) Y–In bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 9-coordinate geometry to six equivalent Y and three equivalent In atoms. All Rh–In bond lengths are 2.85 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to three equivalent Y and six equivalent In atoms. All Rh–In bond lengths are 2.77 Å. In is bonded in a 4-coordinate geometry to six equivalent Y and four Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Y14(InRh)3 by Materials Project

Y14Rh3In3 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. there are seven inequivalent Y sites. In the first Y site, Y is bonded in a 3-coordinate geometry to three equivalent Rh and three In atoms. There are one shorter (2.78 Å) and two longer (2.89 Å) Y–Rh bond lengths. There are one shorter (3.11 Å) and two longer (3.48 Å) Y–In bond lengths. In the second Y site, Y is bonded in a distorted L-shaped geometry to two Rh and two In atoms. Both Y–Rh bond lengths are 2.86 Å. There are one shorter (3.51 Å) and one longer (3.58 Å) Y–In bond lengths. In the third Y site, Y is bonded in a distorted single-bond geometry to one Rh and three In atoms. The Y–Rh bond length is 2.73 Å. There are one shorter (3.29 Å) and two longer (3.58 Å) Y–In bond lengths. In the fourth Y site, Y is bonded in a distorted bent 150 degrees geometry to two equivalent Rh and two equivalent In atoms. Both Y–Rh bond lengths are 2.80 Å. Both Y–In bond lengths are 3.64 Å. In the fifth Y site, Y is bonded in a distorted linear geometry to two equivalent In atoms. Both Y–In bond lengths are 3.30 Å. In the sixth Y site, Y is bonded in a distorted T-shaped geometry to one Rh and two In atoms. The Y–Rh bond length is 3.41 Å. There are one shorter (3.13 Å) and one longer (3.37 Å) Y–In bond lengths. In the seventh Y site, Y is bonded in a 4-coordinate geometry to two equivalent Rh and two equivalent In atoms. Both Y–Rh bond lengths are 3.47 Å. Both Y–In bond lengths are 3.41 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 6-coordinate geometry to eight Y atoms. In the second Rh site, Rh is bonded in a 6-coordinate geometry to eight Y and one In atom. The Rh–In bond length is 3.14 Å. There are two inequivalent In sites. In the first In site, In is bonded to eleven Y and one In atom to form a mixture of corner and face-sharing InY11In cuboctahedra. The In–In bond length is 3.12 Å. In the second In site, In is bonded to ten Y and two equivalent Rh atoms to form a mixture of distorted corner and face-sharing InY10Rh2 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YInRh2 by Materials Project

YRh2In is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Y is bonded in a body-centered cubic geometry to eight equivalent Rh atoms. All Y–Rh bond lengths are 2.89 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Y and four equivalent In atoms. All Rh–In bond lengths are 2.89 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on YIn5Rh by Materials Project

YRhIn5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Y is bonded to twelve In atoms to form YIn12 cuboctahedra that share corners with four equivalent YIn12 cuboctahedra, faces with four equivalent YIn12 cuboctahedra, and faces with four equivalent InY4In8 cuboctahedra. There are eight shorter (3.25 Å) and four longer (3.31 Å) Y–In bond lengths. Rh is bonded in a body-centered cubic geometry to eight equivalent In atoms. All Rh–In bond lengths are 2.78 Å. There are two inequivalent In sites. In the first In site, In is bonded in a 4-coordinate geometry to two equivalent Y, two equivalent Rh, and two equivalent In atoms. Both In–In bond lengths are 3.25 Å. In the second In site, In is bonded to four equivalent Y and eight equivalent In atoms to form InY4In8 cuboctahedra that share corners with four equivalent InY4In8 cuboctahedra, faces with four equivalent YIn12 cuboctahedra, and faces with four equivalent InY4In8 cuboctahedra.

36 MATERIALS SCIENCE↗