Materials Data on Tb(IO3)3 by Materials Project
Tb(O3I)3 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Tb3+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.82 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Tb3+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.56 Å. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two equivalent I5+ atoms. Both O–I bond lengths are 2.13 Å. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two I5+ atoms. There are one shorter (1.88 Å) and one longer (2.75 Å) O–I bond lengths. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Tb3+ and two I5+ atoms. There are one shorter (1.94 Å) and one longer (2.60 Å) O–I bond lengths. There are two inequivalent I5+ sites. In the first I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms. In the second I5+ site, I5+ is bonded in a 6-coordinate geometry to six O2- atoms.
- 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:
- 1714129
- Report Number(s):
- mp-1193509
- Country of Publication:
- United States
- Language:
- English
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