Materials Data on NdO2 by Materials Project
NdO2 is Hydrophilite-like structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Nd sites. In the first Nd site, Nd is bonded to six O atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Nd–O bond distances ranging from 2.33–2.39 Å. In the second Nd site, Nd is bonded to six O atoms to form a mixture of corner and edge-sharing NdO6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Nd–O bond distances ranging from 2.35–2.40 Å. There are four inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the second O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the third O site, O is bonded in a trigonal planar geometry to three Nd atoms. In the fourth O site, O is bonded in a trigonal planar geometry to three Nd 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:
- 1289339
- Report Number(s):
- mp-754317
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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