U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs5CeNi2(NO2)12 by Materials Project
Abstract
Cs5Ce(NO2)12(Ni)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional and consists of four nickel molecules and one Cs5Ce(NO2)12 framework. In the Cs5Ce(NO2)12 framework, there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share faces with two equivalent CeO12 cuboctahedra and faces with six equivalent CsO12 cuboctahedra. There are six shorter (3.10 Å) and six longer (3.15 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share edges with two equivalent CeO12 cuboctahedra, edges with four equivalent CsO12 cuboctahedra, and faces with four equivalent CsO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.34–3.62 Å. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share edges with six equivalent CsO12 cuboctahedra and faces with four equivalent CsO12 cuboctahedra. All Ce–O bond lengths are 2.97 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- ismore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-704975
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Cs5CeNi2(NO2)12; Ce-Cs-N-Ni-O
- OSTI Identifier:
- 1285797
- DOI:
- https://doi.org/10.17188/1285797
Citation Formats
The Materials Project. Materials Data on Cs5CeNi2(NO2)12 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1285797.
The Materials Project. Materials Data on Cs5CeNi2(NO2)12 by Materials Project. United States. doi:https://doi.org/10.17188/1285797
The Materials Project. 2020.
"Materials Data on Cs5CeNi2(NO2)12 by Materials Project". United States. doi:https://doi.org/10.17188/1285797. https://www.osti.gov/servlets/purl/1285797. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1285797,
title = {Materials Data on Cs5CeNi2(NO2)12 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs5Ce(NO2)12(Ni)2 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional and consists of four nickel molecules and one Cs5Ce(NO2)12 framework. In the Cs5Ce(NO2)12 framework, there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share faces with two equivalent CeO12 cuboctahedra and faces with six equivalent CsO12 cuboctahedra. There are six shorter (3.10 Å) and six longer (3.15 Å) Cs–O bond lengths. In the second Cs1+ site, Cs1+ is bonded to twelve O2- atoms to form CsO12 cuboctahedra that share edges with two equivalent CeO12 cuboctahedra, edges with four equivalent CsO12 cuboctahedra, and faces with four equivalent CsO12 cuboctahedra. There are a spread of Cs–O bond distances ranging from 3.34–3.62 Å. Ce3+ is bonded to twelve equivalent O2- atoms to form CeO12 cuboctahedra that share edges with six equivalent CsO12 cuboctahedra and faces with four equivalent CsO12 cuboctahedra. All Ce–O bond lengths are 2.97 Å. N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.28 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to three Cs1+ and one N3+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to two Cs1+, one Ce3+, and one N3+ atom.},
doi = {10.17188/1285797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}