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Title: Materials Data on KMg6V by Materials Project

Abstract

KMg6V crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to two equivalent K and twelve Mg atoms. Both K–K bond lengths are 3.46 Å. There are a spread of K–Mg bond distances ranging from 3.57–3.84 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent K and ten Mg atoms to form a mixture of distorted corner and face-sharing MgK2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.46 Å. In the second Mg site, Mg is bonded to two equivalent K and ten Mg atoms to form a mixture of distorted corner and face-sharing MgK2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.46 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.88 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.85 Å. In the fifth Mg site, Mg is bonded in amore » 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.86 Å. V is bonded in a body-centered cubic geometry to eight Mg atoms.« less

Publication Date:
Other Number(s):
mp-1021848
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; KMg6V; K-Mg-V
OSTI Identifier:
1746814
DOI:
https://doi.org/10.17188/1746814

Citation Formats

The Materials Project. Materials Data on KMg6V by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746814.
The Materials Project. Materials Data on KMg6V by Materials Project. United States. doi:https://doi.org/10.17188/1746814
The Materials Project. 2020. "Materials Data on KMg6V by Materials Project". United States. doi:https://doi.org/10.17188/1746814. https://www.osti.gov/servlets/purl/1746814. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1746814,
title = {Materials Data on KMg6V by Materials Project},
author = {The Materials Project},
abstractNote = {KMg6V crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to two equivalent K and twelve Mg atoms. Both K–K bond lengths are 3.46 Å. There are a spread of K–Mg bond distances ranging from 3.57–3.84 Å. There are five inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent K and ten Mg atoms to form a mixture of distorted corner and face-sharing MgK2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.46 Å. In the second Mg site, Mg is bonded to two equivalent K and ten Mg atoms to form a mixture of distorted corner and face-sharing MgK2Mg10 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.23–3.46 Å. In the third Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.88 Å. In the fourth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.85 Å. In the fifth Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, four Mg, and two equivalent V atoms. Both Mg–V bond lengths are 2.86 Å. V is bonded in a body-centered cubic geometry to eight Mg atoms.},
doi = {10.17188/1746814},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}