Materials Data on Na2Te4O9 by Materials Project
Na2Te4O9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.06–2.59 Å. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two O2- atoms. There is one shorter (1.75 Å) and one longer (2.24 Å) Na–O bond length. There are four inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Te–O bond distances ranging from 2.11–2.94 Å. In the second Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.50–2.63 Å. In the third Te4+ site, Te4+ is bonded in a 1-coordinate geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.44–2.71 Å. In the fourth Te4+ site, Te4+ is bonded in a distorted single-bond geometry to three O2- atoms. There are a spread of Te–O bond distances ranging from 1.45–2.37 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two Te4+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two equivalent Te4+ atoms. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three Te4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Na1+ and two Te4+ atoms. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+ and one Te4+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one Te4+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one Te4+ atom. In the eighth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+ and one Te4+ atom. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to one Te4+ 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:
- 1202978
- Report Number(s):
- mp-28904
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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