U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on KMg3O4 by Materials Project
Abstract
KMg3O4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to six O atoms to form KO6 octahedra that share corners with six equivalent KO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–O bond lengths are 2.27 Å. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent KO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.27 Å. There are four inequivalent O sites. In the first O site, O is bonded to two equivalent K and four equivalent Mg atoms to form OK2Mg4 octahedra that share corners with six equivalent OK2Mg4 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.27 Å. In the second O site, O is bonded to six equivalent Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OK2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1099257
- 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; KMg3O4; K-Mg-O
- OSTI Identifier:
- 1708052
- DOI:
- https://doi.org/10.17188/1708052
Citation Formats
The Materials Project. Materials Data on KMg3O4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1708052.
The Materials Project. Materials Data on KMg3O4 by Materials Project. United States. doi:https://doi.org/10.17188/1708052
The Materials Project. 2020.
"Materials Data on KMg3O4 by Materials Project". United States. doi:https://doi.org/10.17188/1708052. https://www.osti.gov/servlets/purl/1708052. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1708052,
title = {Materials Data on KMg3O4 by Materials Project},
author = {The Materials Project},
abstractNote = {KMg3O4 is Caswellsilverite-like structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to six O atoms to form KO6 octahedra that share corners with six equivalent KO6 octahedra and edges with twelve equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All K–O bond lengths are 2.27 Å. Mg is bonded to six O atoms to form MgO6 octahedra that share corners with six equivalent MgO6 octahedra, edges with four equivalent KO6 octahedra, and edges with eight equivalent MgO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.27 Å. There are four inequivalent O sites. In the first O site, O is bonded to two equivalent K and four equivalent Mg atoms to form OK2Mg4 octahedra that share corners with six equivalent OK2Mg4 octahedra and edges with twelve OMg6 octahedra. The corner-sharing octahedral tilt angles are 0°. All O–Mg bond lengths are 2.27 Å. In the second O site, O is bonded to six equivalent Mg atoms to form OMg6 octahedra that share corners with six equivalent OMg6 octahedra and edges with twelve OK2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third O site, O is bonded to two equivalent K and four equivalent Mg atoms to form a mixture of edge and corner-sharing OK2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the fourth O site, O is bonded to two equivalent K and four equivalent Mg atoms to form a mixture of edge and corner-sharing OK2Mg4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1708052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}