U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KMg2(AsO6)2 by Materials Project
Abstract
KMg2(AsO5)2O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four oxygen molecules and one KMg2(AsO5)2 framework. In the KMg2(AsO5)2 framework, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.63–3.15 Å. Mg is bonded to five O atoms to form distorted MgO5 square pyramids that share corners with four equivalent AsO4 tetrahedra and an edgeedge with one MgO5 square pyramid. There are a spread of Mg–O bond distances ranging from 1.99–2.63 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four equivalent MgO5 square pyramids. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Mg and one As atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Mg, and one O atom. The O–O bond length is 1.25 Å. In the third O site, O is bonded in a single-bond geometry to one As atom. In the fourth O site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1196082
- 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; KMg2(AsO6)2; As-K-Mg-O
- OSTI Identifier:
- 1695933
- DOI:
- https://doi.org/10.17188/1695933
Citation Formats
The Materials Project. Materials Data on KMg2(AsO6)2 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1695933.
The Materials Project. Materials Data on KMg2(AsO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1695933
The Materials Project. 2019.
"Materials Data on KMg2(AsO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1695933. https://www.osti.gov/servlets/purl/1695933. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1695933,
title = {Materials Data on KMg2(AsO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {KMg2(AsO5)2O2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional and consists of four oxygen molecules and one KMg2(AsO5)2 framework. In the KMg2(AsO5)2 framework, K is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.63–3.15 Å. Mg is bonded to five O atoms to form distorted MgO5 square pyramids that share corners with four equivalent AsO4 tetrahedra and an edgeedge with one MgO5 square pyramid. There are a spread of Mg–O bond distances ranging from 1.99–2.63 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four equivalent MgO5 square pyramids. There are a spread of As–O bond distances ranging from 1.71–1.75 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted trigonal planar geometry to two equivalent Mg and one As atom. In the second O site, O is bonded in a 4-coordinate geometry to two equivalent K, one Mg, and one O atom. The O–O bond length is 1.25 Å. In the third O site, O is bonded in a single-bond geometry to one As atom. In the fourth O site, O is bonded in a 2-coordinate geometry to two equivalent K, one Mg, and one As atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to one K, one Mg, and one As atom.},
doi = {10.17188/1695933},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}