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Title: Materials Data on KNp(CO3)2 by Materials Project

Abstract

KNp(CO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two KNp(CO3)2 sheets oriented in the (1, 0, 0) direction. K1+ is bonded to six O2- atoms to form edge-sharing KO6 octahedra. There are four shorter (2.88 Å) and two longer (2.90 Å) K–O bond lengths. Np3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Np–O bond lengths are 1.84 Å. C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 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 two equivalent K1+ and one Np3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C4+ atom.

Authors:
Publication Date:
Other Number(s):
mp-1080695
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; KNp(CO3)2; C-K-Np-O
OSTI Identifier:
1753275
DOI:
https://doi.org/10.17188/1753275

Citation Formats

The Materials Project. Materials Data on KNp(CO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1753275.
The Materials Project. Materials Data on KNp(CO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1753275
The Materials Project. 2020. "Materials Data on KNp(CO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1753275. https://www.osti.gov/servlets/purl/1753275. Pub date:Sun Apr 26 00:00:00 EDT 2020
@article{osti_1753275,
title = {Materials Data on KNp(CO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KNp(CO3)2 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two KNp(CO3)2 sheets oriented in the (1, 0, 0) direction. K1+ is bonded to six O2- atoms to form edge-sharing KO6 octahedra. There are four shorter (2.88 Å) and two longer (2.90 Å) K–O bond lengths. Np3+ is bonded in a distorted linear geometry to two equivalent O2- atoms. Both Np–O bond lengths are 1.84 Å. C4+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.27 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 two equivalent K1+ and one Np3+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one C4+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one C4+ atom.},
doi = {10.17188/1753275},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}