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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AsRh by Materials Project

RhAs is Modderite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Rh3+ is bonded to six equivalent As3- atoms to form a mixture of distorted edge, face, and corner-sharing RhAs6 octahedra. The corner-sharing octahedra tilt angles range from 46–59°. There are a spread of Rh–As bond distances ranging from 2.46–2.65 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Rh3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K(AsRh)2 by Materials Project

K(RhAs)2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K is bonded in a body-centered cubic geometry to eight equivalent As atoms. There are a spread of K–As bond distances ranging from 3.42–3.49 Å. Rh is bonded to four equivalent As atoms to form a mixture of edge and corner-sharing RhAs4 tetrahedra. There are two shorter (2.45 Å) and two longer (2.46 Å) Rh–As bond lengths. As is bonded in a 8-coordinate geometry to four equivalent K and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(AsRh)2 by Materials Project

BaRh2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ba is bonded in a body-centered cubic geometry to eight equivalent As atoms. All Ba–As bond lengths are 3.45 Å. Rh is bonded to four equivalent As atoms to form a mixture of edge and corner-sharing RhAs4 tetrahedra. All Rh–As bond lengths are 2.48 Å. As is bonded in a 8-coordinate geometry to four equivalent Ba and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr(AsRh)2 by Materials Project

SrRh2As2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded in a distorted body-centered cubic geometry to eight equivalent As atoms. All Sr–As bond lengths are 3.33 Å. Rh is bonded to four equivalent As atoms to form a mixture of distorted edge and corner-sharing RhAs4 tetrahedra. All Rh–As bond lengths are 2.48 Å. As is bonded in a 8-coordinate geometry to four equivalent Sr and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs(AsRh)2 by Materials Project

Cs(RhAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs is bonded in a body-centered cubic geometry to eight equivalent As atoms. All Cs–As bond lengths are 3.73 Å. Rh is bonded to four equivalent As atoms to form a mixture of corner and edge-sharing RhAs4 tetrahedra. All Rh–As bond lengths are 2.45 Å. As is bonded in a 8-coordinate geometry to four equivalent Cs and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Eu(AsRh)2 by Materials Project

Eu(RhAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Eu is bonded in a 8-coordinate geometry to eight equivalent Rh and eight equivalent As atoms. All Eu–Rh bond lengths are 3.54 Å. All Eu–As bond lengths are 3.26 Å. Rh is bonded to four equivalent Eu and four equivalent As atoms to form a mixture of distorted corner, edge, and face-sharing RhEu4As4 tetrahedra. All Rh–As bond lengths are 2.48 Å. As is bonded in a 9-coordinate geometry to four equivalent Eu, four equivalent Rh, and one As atom. The As–As bond length is 2.98 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Rb(AsRh)2 by Materials Project

Rb(RhAs)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb is bonded in a body-centered cubic geometry to eight equivalent As atoms. All Rb–As bond lengths are 3.60 Å. Rh is bonded to four equivalent As atoms to form a mixture of edge and corner-sharing RhAs4 tetrahedra. All Rh–As bond lengths are 2.45 Å. As is bonded in a 8-coordinate geometry to four equivalent Rb and four equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ce(AsRh)2 by Materials Project

Ce(RhAs)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to eight Rh and eight As atoms. There are four shorter (3.30 Å) and four longer (3.32 Å) Ce–Rh bond lengths. There are four shorter (3.25 Å) and four longer (3.29 Å) Ce–As bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent Ce and four equivalent As atoms. All Rh–As bond lengths are 2.56 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent Ce and five As atoms. There are one shorter (2.42 Å) and four longer (2.47 Å) Rh–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to four equivalent Ce and five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La(AsRh)2 by Materials Project

La(RhAs)2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. La is bonded in a 4-coordinate geometry to eight Rh and eight As atoms. There are four shorter (3.32 Å) and four longer (3.36 Å) La–Rh bond lengths. There are four shorter (3.28 Å) and four longer (3.29 Å) La–As bond lengths. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to four equivalent La and four equivalent As atoms. All Rh–As bond lengths are 2.57 Å. In the second Rh site, Rh is bonded in a 9-coordinate geometry to four equivalent La and five As atoms. There are one shorter (2.46 Å) and four longer (2.48 Å) Rh–As bond lengths. There are two inequivalent As sites. In the first As site, As is bonded in a 8-coordinate geometry to four equivalent La and four equivalent Rh atoms. In the second As site, As is bonded in a 9-coordinate geometry to four equivalent La and five Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AsRhS by Materials Project

RhAsS is Spinel-like structured and crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Rh3+ is bonded to three equivalent As1- and three equivalent S2- atoms to form RhAs3S3 octahedra that share corners with twelve equivalent RhAs3S3 octahedra, corners with three equivalent AsRh3S tetrahedra, and corners with three equivalent SAsRh3 tetrahedra. The corner-sharing octahedra tilt angles range from 64–65°. All Rh–As bond lengths are 2.46 Å. All Rh–S bond lengths are 2.43 Å. As1- is bonded to three equivalent Rh3+ and one S2- atom to form distorted AsRh3S tetrahedra that share corners with three equivalent RhAs3S3 octahedra, corners with six equivalent AsRh3S tetrahedra, and corners with nine equivalent SAsRh3 tetrahedra. The corner-sharing octahedral tilt angles are 77°. The As–S bond length is 2.33 Å. S2- is bonded to three equivalent Rh3+ and one As1- atom to form SAsRh3 tetrahedra that share corners with three equivalent RhAs3S3 octahedra, corners with six equivalent SAsRh3 tetrahedra, and corners with nine equivalent AsRh3S tetrahedra. The corner-sharing octahedral tilt angles are 78°.

36 MATERIALS SCIENCE↗