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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaSn2Rh by Materials Project

CaRhSn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to three equivalent Rh and ten equivalent Sn atoms. There are one shorter (3.04 Å) and two longer (3.27 Å) Ca–Rh bond lengths. There are a spread of Ca–Sn bond distances ranging from 3.26–3.54 Å. Rh is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. There are two shorter (2.76 Å) and four longer (2.78 Å) Rh–Sn bond lengths. Sn is bonded in a 12-coordinate geometry to five equivalent Ca and three equivalent Rh atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca3Sn13Rh4 by Materials Project

Ca3Rh4Sn13 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Rh and twelve equivalent Sn atoms. All Ca–Rh bond lengths are 3.48 Å. There are four shorter (3.45 Å) and eight longer (3.47 Å) Ca–Sn bond lengths. Rh is bonded in a 6-coordinate geometry to three equivalent Ca and six equivalent Sn atoms. All Rh–Sn bond lengths are 2.69 Å. There are two inequivalent Sn sites. In the first Sn site, Sn is bonded in a 2-coordinate geometry to three equivalent Ca, two equivalent Rh, and one Sn atom. The Sn–Sn bond length is 3.35 Å. In the second Sn site, Sn is bonded in a cuboctahedral geometry to twelve equivalent Sn atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaSnRh2 by Materials Project

CaRh2Sn is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to eight equivalent Rh and six equivalent Sn atoms. All Ca–Rh bond lengths are 2.86 Å. All Ca–Sn bond lengths are 3.30 Å. Rh is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Sn atoms. All Rh–Sn bond lengths are 2.86 Å. Sn is bonded in a distorted body-centered cubic geometry to six equivalent Ca and eight equivalent Rh atoms.

36 MATERIALS SCIENCE↗