Materials Data on Y3Ni2 by Materials Project
Ni2Y3 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. there are seven inequivalent Y sites. In the first Y site, Y is bonded in a 4-coordinate geometry to six Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.79–3.66 Å. In the second Y site, Y is bonded in a 4-coordinate geometry to four Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.73–3.40 Å. In the third Y site, Y is bonded in a 5-coordinate geometry to five Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.79–3.42 Å. In the fourth Y site, Y is bonded in a 4-coordinate geometry to four Ni atoms. There are two shorter (2.79 Å) and two longer (2.81 Å) Y–Ni bond lengths. In the fifth Y site, Y is bonded in a 4-coordinate geometry to four Ni atoms. There are two shorter (2.73 Å) and two longer (3.03 Å) Y–Ni bond lengths. In the sixth Y site, Y is bonded in a 6-coordinate geometry to six Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.86–3.01 Å. In the seventh Y site, Y is bonded in a 5-coordinate geometry to five Ni atoms. There are a spread of Y–Ni bond distances ranging from 2.76–2.94 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to eight Y and one Ni atom. The Ni–Ni bond length is 2.62 Å. In the second Ni site, Ni is bonded in a 6-coordinate geometry to eight Y and one Ni atom. The Ni–Ni bond length is 2.50 Å. In the third Ni site, Ni is bonded in a 9-coordinate geometry to seven Y and two Ni atoms. The Ni–Ni bond length is 2.52 Å. In the fourth Ni site, Ni is bonded in a 9-coordinate geometry to seven Y and two Ni atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1276949
- Report Number(s):
- mp-582134
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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