Materials Data on NaLaO2 by Materials Project
NaLaO2 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na1+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.44 Å. La3+ is bonded to six equivalent O2- atoms to form a mixture of edge and corner-sharing LaO6 octahedra. The corner-sharing octahedral tilt angles are 18°. There are four shorter (2.44 Å) and two longer (2.47 Å) La–O bond lengths. O2- is bonded to two equivalent Na1+ and three equivalent La3+ atoms to form a mixture of edge and corner-sharing ONa2La3 square pyramids.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1290095
- Report Number(s):
- mp-755586
- Country of Publication:
- United States
- Language:
- English
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