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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaIn2Cu by Materials Project

CaCuIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to three equivalent Cu and ten equivalent In atoms. There are one shorter (3.04 Å) and two longer (3.26 Å) Ca–Cu bond lengths. There are a spread of Ca–In bond distances ranging from 3.28–3.53 Å. Cu is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent In atoms. There are two shorter (2.74 Å) and four longer (2.81 Å) Cu–In bond lengths. In is bonded in a 12-coordinate geometry to five equivalent Ca and three equivalent Cu atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaInCu4 by Materials Project

CaCu4In crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to twelve equivalent Cu and four equivalent In atoms. All Ca–Cu bond lengths are 3.01 Å. All Ca–In bond lengths are 3.14 Å. Cu is bonded to three equivalent Ca, six equivalent Cu, and three equivalent In atoms to form a mixture of face, edge, and corner-sharing CuCa3In3Cu6 cuboctahedra. There are three shorter (2.55 Å) and three longer (2.58 Å) Cu–Cu bond lengths. All Cu–In bond lengths are 3.01 Å. In is bonded in a 4-coordinate geometry to four equivalent Ca and twelve equivalent Cu atoms.

36 MATERIALS SCIENCE↗