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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaIn4Pd by Materials Project

CaPdIn4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to two equivalent Pd and eleven In atoms. Both Ca–Pd bond lengths are 3.34 Å. There are a spread of Ca–In bond distances ranging from 3.27–3.66 Å. Pd is bonded in a 9-coordinate geometry to two equivalent Ca and seven In atoms. There are a spread of Pd–In bond distances ranging from 2.74–2.83 Å. There are three inequivalent In sites. In the first In site, In is bonded in a 3-coordinate geometry to three equivalent Ca, three equivalent Pd, and one In atom. The In–In bond length is 3.11 Å. In the second In site, In is bonded in a distorted linear geometry to one Ca, one Pd, and four equivalent In atoms. All In–In bond lengths are 3.16 Å. In the third In site, In is bonded in a distorted q6 geometry to four equivalent Ca and six In atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ca2InPd2 by Materials Project

Ca2Pd2In crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ca is bonded in a 7-coordinate geometry to six equivalent Pd and four equivalent In atoms. There are a spread of Ca–Pd bond distances ranging from 3.08–3.26 Å. There are a spread of Ca–In bond distances ranging from 3.43–3.50 Å. Pd is bonded in a 9-coordinate geometry to six equivalent Ca, one Pd, and two equivalent In atoms. The Pd–Pd bond length is 2.72 Å. There are one shorter (2.73 Å) and one longer (2.75 Å) Pd–In bond lengths. In is bonded in a 12-coordinate geometry to eight equivalent Ca and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaIn2Pd by Materials Project

CaPdIn2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Ca is bonded in a 1-coordinate geometry to three equivalent Pd and ten equivalent In atoms. There are one shorter (2.97 Å) and two longer (3.20 Å) Ca–Pd bond lengths. There are a spread of Ca–In bond distances ranging from 3.40–3.52 Å. Pd is bonded in a 9-coordinate geometry to three equivalent Ca and six equivalent In atoms. There are two shorter (2.80 Å) and four longer (2.85 Å) Pd–In bond lengths. In is bonded in a 3-coordinate geometry to five equivalent Ca and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaInPd by Materials Project

CaPdIn crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ca is bonded in a 5-coordinate geometry to five equivalent Pd and six equivalent In atoms. There are a spread of Ca–Pd bond distances ranging from 3.12–3.17 Å. There are a spread of Ca–In bond distances ranging from 3.38–3.53 Å. Pd is bonded in a 9-coordinate geometry to five equivalent Ca and four equivalent In atoms. There are a spread of Pd–In bond distances ranging from 2.80–2.87 Å. In is bonded in a 4-coordinate geometry to six equivalent Ca and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaInPd2 by Materials Project

CaPd2In 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 Pd atoms. All Ca–Pd bond lengths are 2.95 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent In atoms. All Pd–In bond lengths are 2.95 Å. In is bonded in a distorted body-centered cubic geometry to eight equivalent Pd atoms.

36 MATERIALS SCIENCE↗