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

Abstract

KMg(CO5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded to eight O atoms to form distorted KO8 hexagonal bipyramids that share edges with two equivalent MgO6 octahedra. There are a spread of K–O bond distances ranging from 2.66–3.19 Å. Mg is bonded to six O atoms to form distorted MgO6 octahedra that share edges with two equivalent KO8 hexagonal bipyramids. There are a spread of Mg–O bond distances ranging from 1.95–2.39 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.29 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one K, one Mg, and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one C atom. In the third O site, O is bonded in a 3-coordinate geometry to one K, one Mg, and one O atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one K and one C atom. In themore » fifth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one C atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1180869
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; KMg(CO5)2; C-K-Mg-O
OSTI Identifier:
1651777
DOI:
https://doi.org/10.17188/1651777

Citation Formats

The Materials Project. Materials Data on KMg(CO5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651777.
The Materials Project. Materials Data on KMg(CO5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1651777
The Materials Project. 2020. "Materials Data on KMg(CO5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1651777. https://www.osti.gov/servlets/purl/1651777. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1651777,
title = {Materials Data on KMg(CO5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KMg(CO5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K is bonded to eight O atoms to form distorted KO8 hexagonal bipyramids that share edges with two equivalent MgO6 octahedra. There are a spread of K–O bond distances ranging from 2.66–3.19 Å. Mg is bonded to six O atoms to form distorted MgO6 octahedra that share edges with two equivalent KO8 hexagonal bipyramids. There are a spread of Mg–O bond distances ranging from 1.95–2.39 Å. C is bonded in a trigonal planar geometry to three O atoms. There are a spread of C–O bond distances ranging from 1.27–1.29 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 3-coordinate geometry to one K, one Mg, and one O atom. The O–O bond length is 1.28 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one Mg and one C atom. In the third O site, O is bonded in a 3-coordinate geometry to one K, one Mg, and one O atom. In the fourth O site, O is bonded in a distorted single-bond geometry to one K and one C atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one C atom.},
doi = {10.17188/1651777},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}