Materials Data on Yb2TiO5 by Materials Project
Yb2TiO5 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Yb3+ sites. In the first Yb3+ site, Yb3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Yb–O bond distances ranging from 1.83–2.43 Å. In the second Yb3+ site, Yb3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Yb–O bond distances ranging from 1.58–2.40 Å. In the third Yb3+ site, Yb3+ is bonded in a 2-coordinate geometry to three O2- atoms. There are a spread of Yb–O bond distances ranging from 1.62–2.39 Å. In the fourth Yb3+ site, Yb3+ is bonded in a 1-coordinate geometry to four O2- atoms. There are a spread of Yb–O bond distances ranging from 1.82–2.39 Å. There are two inequivalent Ti4+ sites. In the first Ti4+ site, Ti4+ is bonded in a 2-coordinate geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.58–2.15 Å. In the second Ti4+ site, Ti4+ is bonded in a distorted rectangular see-saw-like geometry to four O2- atoms. There are a spread of Ti–O bond distances ranging from 1.21–2.00 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two Yb3+ and one Ti4+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the seventh O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Yb3+ and one Ti4+ atom. In the eighth O2- site, O2- is bonded in a distorted L-shaped geometry to two Yb3+ atoms. In the ninth O2- site, O2- is bonded in a 1-coordinate geometry to two Yb3+ and one Ti4+ atom. In the tenth O2- site, O2- is bonded in a distorted L-shaped geometry to two Yb3+ 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:
- 1288904
- Report Number(s):
- mp-753108
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on Yb2TiO5 by Materials Project
Materials Data on Yb2TiO5 by Materials Project