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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Zr7Ni10 by Materials Project

Zr7Ni10 crystallizes in the orthorhombic Aea2 space group. The structure is three-dimensional. there are five inequivalent Zr sites. In the first Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.72–2.79 Å. In the second Zr site, Zr is bonded in a 7-coordinate geometry to seven Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.69–2.81 Å. In the third Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.75–2.79 Å. In the fourth Zr site, Zr is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.60–2.74 Å. In the fifth Zr site, Zr is bonded in a distorted body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.66 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom. The Ni–Ni bond length is 2.66 Å. In the second Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and one Ni atom. The Ni–Ni bond length is 2.63 Å. In the third Ni site, Ni is bonded in a 10-coordinate geometry to five Zr and five Ni atoms. There are two shorter (2.66 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom. In the fifth Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zr7Ni10 by Materials Project

Zr7Ni10 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. there are four inequivalent Zr sites. In the first Zr site, Zr is bonded in a 7-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.71–3.30 Å. In the second Zr site, Zr is bonded in a 10-coordinate geometry to ten Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.75–2.81 Å. In the third Zr site, Zr is bonded in a body-centered cubic geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.65 Å. In the fourth Zr site, Zr is bonded in a 8-coordinate geometry to eight Ni atoms. There are a spread of Zr–Ni bond distances ranging from 2.62–2.76 Å. There are five inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.65 Å) and one longer (2.71 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 11-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.62 Å) and one longer (2.75 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 6-coordinate geometry to six Zr and two Ni atoms. There are one shorter (2.68 Å) and one longer (2.73 Å) Ni–Ni bond lengths. In the fourth Ni site, Ni is bonded in a 10-coordinate geometry to five Zr and five Ni atoms. There are one shorter (2.65 Å) and one longer (2.77 Å) Ni–Ni bond lengths. In the fifth Ni site, Ni is bonded in a 11-coordinate geometry to seven Zr and four Ni atoms.

36 MATERIALS SCIENCE↗