Materials Data on K2Cr2NiO10 by Materials Project
K2Cr2NiO10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.73–3.21 Å. Cr is bonded to four O atoms to form CrO4 tetrahedra that share corners with two equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 45–54°. There are a spread of Cr–O bond distances ranging from 1.63–1.72 Å. Ni is bonded to six O atoms to form NiO6 octahedra that share corners with four equivalent CrO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.74–2.03 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Cr, and one Ni atom. In the second O site, O is bonded in a 3-coordinate geometry to one K, one Cr, and one Ni atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Cr atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Cr atom. In the fifth O site, O is bonded in a single-bond geometry to one K and one Ni atom.
- 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:
- 1715304
- Report Number(s):
- mp-1103927
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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