Materials Data on Na2Hf2O5 by Materials Project
Na2Hf2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Na–O bond lengths are 2.57 Å. In the second Na1+ site, Na1+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Na–O bond lengths are 2.82 Å. Hf4+ is bonded to five O2- atoms to form distorted corner-sharing HfO5 square pyramids. There are one shorter (1.99 Å) and four longer (2.04 Å) Hf–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+ and two equivalent Hf4+ atoms. In the second O2- site, O2- is bonded to four equivalent Na1+ and two equivalent Hf4+ atoms to form a mixture of distorted edge and corner-sharing ONa4Hf2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- 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:
- 1310779
- Report Number(s):
- mp-865500
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Na9H4S4BrO20 by Materials Project
Materials Data on NaCu5Se2Cl3O8 by Materials Project