U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nd2CO5 by Materials Project
Abstract
Nd2O2CO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.22–2.66 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.28 Å) and two longer (1.29 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one C4+ atom. In the third O2- site, O2- is bonded to four equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing ONd4 tetrahedra.
- Publication Date:
- Other Number(s):
- mp-1173626
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; C-Nd-O; Nd2CO5; crystal structure
- OSTI Identifier:
- 1681696
- DOI:
- https://doi.org/10.17188/1681696
Citation Formats
Materials Data on Nd2CO5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1681696.
Materials Data on Nd2CO5 by Materials Project. United States. doi:https://doi.org/10.17188/1681696
2019.
"Materials Data on Nd2CO5 by Materials Project". United States. doi:https://doi.org/10.17188/1681696. https://www.osti.gov/servlets/purl/1681696. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1681696,
title = {Materials Data on Nd2CO5 by Materials Project},
abstractNote = {Nd2O2CO3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.22–2.66 Å. C4+ is bonded in a trigonal planar geometry to three O2- atoms. There is one shorter (1.28 Å) and two longer (1.29 Å) C–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Nd3+ and one C4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Nd3+ and one C4+ atom. In the third O2- site, O2- is bonded to four equivalent Nd3+ atoms to form a mixture of distorted edge and corner-sharing ONd4 tetrahedra.},
doi = {10.17188/1681696},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}