Materials Data on YI3O11 by Materials Project
YO11I3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one YO11I3 sheet oriented in the (0, 1, 0) direction. Y is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Y–O bond distances ranging from 2.34–2.43 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the second O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.84 Å. In the fourth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.81 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.84 Å. In the seventh O site, O is bonded in a bent 120 degrees geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the eighth O site, O is bonded in a bent 150 degrees geometry to one Y and one I atom. The O–I bond length is 1.83 Å. In the ninth O site, O is bonded in a bent 150 degrees geometry to one Y and one I atom. The O–I bond length is 1.85 Å. In the tenth O site, O is bonded in a single-bond geometry to one Y atom. In the eleventh O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 2.77 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three O atoms. In the second I site, I is bonded in a trigonal non-coplanar geometry to three O atoms. In the third I site, I is bonded in a 3-coordinate geometry to four O 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:
- 1746593
- Report Number(s):
- mp-1193563
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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