Materials Data on La2C3O17 by Materials Project
La2C2O11CO2(O2)2 crystallizes in the orthorhombic Pccn space group. The structure is two-dimensional and consists of four carbon dioxide molecules; eight hydrogen peroxide molecules; and two La2C2O11 sheets oriented in the (0, 0, 1) direction. In each La2C2O11 sheet, there are two inequivalent La sites. In the first La site, La is bonded in a distorted hexagonal bipyramidal geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.37–2.64 Å. In the second La site, La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.47–2.72 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.29–1.31 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the second O site, O is bonded in an L-shaped geometry to one La and one O atom. The O–O bond length is 1.37 Å. In the third O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the fourth O site, O is bonded in a bent 120 degrees geometry to two equivalent O atoms. In the fifth O site, O is bonded in a distorted single-bond geometry to two La and one C atom. In the sixth O site, O is bonded in a 2-coordinate geometry to one La and one O atom. The O–O bond length is 1.34 Å.
- 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:
- 1667293
- Report Number(s):
- mp-1181011
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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