Materials Data on ErC3O8 by Materials Project
ErC3O8 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Er is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Er–O bond distances ranging from 2.15–2.63 Å. There are three inequivalent C sites. In the first C site, C is bonded in a linear geometry to two O atoms. Both C–O bond lengths are 1.17 Å. In the second C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.30 Å. In the third C site, C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.28–1.31 Å. There are eight inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Er and one C atom. In the second O site, O is bonded in an L-shaped geometry to one Er and one C atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Er and one C atom. In the fourth O site, O is bonded in an L-shaped geometry to one Er and one C atom. In the fifth O site, O is bonded in a distorted single-bond geometry to one Er and one C atom. In the sixth O site, O is bonded in a distorted single-bond geometry to one Er and one C atom. In the seventh O site, O is bonded in a single-bond geometry to one C atom. In the eighth O site, O is bonded in a linear geometry to one Er and one C 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:
- 1711949
- Report Number(s):
- mp-1199532
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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