U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KMg6Sb by Materials Project
Abstract
KMg6Sb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded to ten Mg and two equivalent Sb atoms to form KMg10Sb2 cuboctahedra that share corners with four equivalent SbK2Mg10 cuboctahedra, corners with six equivalent KMg10Sb2 cuboctahedra, corners with eight equivalent MgK2Mg8Sb2 cuboctahedra, edges with two equivalent SbK2Mg10 cuboctahedra, edges with four equivalent MgK2Mg8Sb2 cuboctahedra, faces with two equivalent KMg10Sb2 cuboctahedra, faces with two equivalent SbK2Mg10 cuboctahedra, and faces with four equivalent MgK2Mg8Sb2 cuboctahedra. There are a spread of K–Mg bond distances ranging from 3.30–3.42 Å. Both K–Sb bond lengths are 3.31 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent K, eight Mg, and two equivalent Sb atoms to form distorted MgK2Mg8Sb2 cuboctahedra that share corners with four equivalent KMg10Sb2 cuboctahedra, corners with four equivalent SbK2Mg10 cuboctahedra, corners with ten equivalent MgK2Mg8Sb2 cuboctahedra, edges with two equivalent KMg10Sb2 cuboctahedra, edges with two equivalent MgK2Mg8Sb2 cuboctahedra, edges with two equivalent SbK2Mg10 cuboctahedra, faces with two equivalent KMg10Sb2 cuboctahedra, faces with two equivalent SbK2Mg10 cuboctahedra, and faces with four equivalent MgK2Mg8Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.24–3.34 Å. There are one shortermore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1099305
- 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; KMg6Sb; K-Mg-Sb
- OSTI Identifier:
- 1680448
- DOI:
- https://doi.org/10.17188/1680448
Citation Formats
The Materials Project. Materials Data on KMg6Sb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1680448.
The Materials Project. Materials Data on KMg6Sb by Materials Project. United States. doi:https://doi.org/10.17188/1680448
The Materials Project. 2020.
"Materials Data on KMg6Sb by Materials Project". United States. doi:https://doi.org/10.17188/1680448. https://www.osti.gov/servlets/purl/1680448. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680448,
title = {Materials Data on KMg6Sb by Materials Project},
author = {The Materials Project},
abstractNote = {KMg6Sb crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. K is bonded to ten Mg and two equivalent Sb atoms to form KMg10Sb2 cuboctahedra that share corners with four equivalent SbK2Mg10 cuboctahedra, corners with six equivalent KMg10Sb2 cuboctahedra, corners with eight equivalent MgK2Mg8Sb2 cuboctahedra, edges with two equivalent SbK2Mg10 cuboctahedra, edges with four equivalent MgK2Mg8Sb2 cuboctahedra, faces with two equivalent KMg10Sb2 cuboctahedra, faces with two equivalent SbK2Mg10 cuboctahedra, and faces with four equivalent MgK2Mg8Sb2 cuboctahedra. There are a spread of K–Mg bond distances ranging from 3.30–3.42 Å. Both K–Sb bond lengths are 3.31 Å. There are four inequivalent Mg sites. In the first Mg site, Mg is bonded to two equivalent K, eight Mg, and two equivalent Sb atoms to form distorted MgK2Mg8Sb2 cuboctahedra that share corners with four equivalent KMg10Sb2 cuboctahedra, corners with four equivalent SbK2Mg10 cuboctahedra, corners with ten equivalent MgK2Mg8Sb2 cuboctahedra, edges with two equivalent KMg10Sb2 cuboctahedra, edges with two equivalent MgK2Mg8Sb2 cuboctahedra, edges with two equivalent SbK2Mg10 cuboctahedra, faces with two equivalent KMg10Sb2 cuboctahedra, faces with two equivalent SbK2Mg10 cuboctahedra, and faces with four equivalent MgK2Mg8Sb2 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.24–3.34 Å. There are one shorter (3.38 Å) and one longer (3.44 Å) Mg–Sb bond lengths. In the second Mg site, Mg is bonded in a 12-coordinate geometry to two equivalent K, two equivalent Mg, and two equivalent Sb atoms. Both Mg–Sb bond lengths are 3.25 Å. In the third Mg site, Mg is bonded in a 2-coordinate geometry to two equivalent K and four equivalent Mg atoms. In the fourth Mg site, Mg is bonded in a distorted water-like geometry to four equivalent Mg and two equivalent Sb atoms. Both Mg–Sb bond lengths are 3.33 Å. Sb is bonded to two equivalent K and ten Mg atoms to form SbK2Mg10 cuboctahedra that share corners with four equivalent KMg10Sb2 cuboctahedra, corners with six equivalent SbK2Mg10 cuboctahedra, corners with eight equivalent MgK2Mg8Sb2 cuboctahedra, edges with two equivalent KMg10Sb2 cuboctahedra, edges with four equivalent MgK2Mg8Sb2 cuboctahedra, faces with two equivalent KMg10Sb2 cuboctahedra, faces with two equivalent SbK2Mg10 cuboctahedra, and faces with four equivalent MgK2Mg8Sb2 cuboctahedra.},
doi = {10.17188/1680448},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 00:00:00 EDT 2020},
month = {Sun May 03 00:00:00 EDT 2020}
}