Materials Data on Ga3Ni5Ge2 by Materials Project
Ni5Ga3Ge2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 11-coordinate geometry to four Ni, four Ga, and three Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.55–2.63 Å. There are a spread of Ni–Ga bond distances ranging from 2.41–2.61 Å. There are two shorter (2.44 Å) and one longer (2.73 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to four Ni, four Ga, and three Ge atoms. There are one shorter (2.56 Å) and one longer (2.64 Å) Ni–Ni bond lengths. There are a spread of Ni–Ga bond distances ranging from 2.46–2.60 Å. There are two shorter (2.46 Å) and one longer (2.66 Å) Ni–Ge bond lengths. In the third Ni site, Ni is bonded in a 6-coordinate geometry to four Ni, two equivalent Ga, and four Ge atoms. Both Ni–Ga bond lengths are 2.53 Å. There are two shorter (2.46 Å) and two longer (2.50 Å) Ni–Ge bond lengths. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 6-coordinate geometry to six Ni and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.84 Å. In the second Ga site, Ga is bonded in a 12-coordinate geometry to six Ni, four equivalent Ga, and two equivalent Ge atoms. Both Ga–Ge bond lengths are 2.83 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 8-coordinate geometry to eight Ni atoms. In the second Ge site, Ge is bonded in a 10-coordinate geometry to eight Ni and two equivalent Ga 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:
- 1204216
- Report Number(s):
- mp-29749
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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