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Title: Materials Data on K2Ni(CO5)2 by Materials Project

Abstract

K2Ni(CO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.25 Å. Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.76–2.10 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.23–1.44 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent K and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Ni atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Ni atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one C atom. In the fifth O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Ni, and one C atom.

Publication Date:
Other Number(s):
mp-1212282
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; K2Ni(CO5)2; C-K-Ni-O
OSTI Identifier:
1662692
DOI:
https://doi.org/10.17188/1662692

Citation Formats

The Materials Project. Materials Data on K2Ni(CO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662692.
The Materials Project. Materials Data on K2Ni(CO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1662692
The Materials Project. 2020. "Materials Data on K2Ni(CO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1662692. https://www.osti.gov/servlets/purl/1662692. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1662692,
title = {Materials Data on K2Ni(CO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Ni(CO5)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.25 Å. Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.76–2.10 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.23–1.44 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to two equivalent K and one C atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Ni atom. In the third O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Ni atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one C atom. In the fifth O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Ni, and one C atom.},
doi = {10.17188/1662692},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}