U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K3Mn by Materials Project
Abstract
K3Mn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Mn atoms to form distorted KK4Mn4 cuboctahedra that share corners with eight equivalent MnK12 cuboctahedra, corners with sixteen KK4Mn4 cuboctahedra, edges with four equivalent MnK12 cuboctahedra, edges with sixteen KK4Mn4 cuboctahedra, and faces with six equivalent KK4Mn4 cuboctahedra. All K–K bond lengths are 4.08 Å. All K–Mn bond lengths are 4.08 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Mn atoms to form KK8Mn4 cuboctahedra that share corners with eight equivalent MnK12 cuboctahedra, corners with twenty KK4Mn4 cuboctahedra, edges with sixteen KK4Mn4 cuboctahedra, faces with four equivalent KK8Mn4 cuboctahedra, and faces with six equivalent MnK12 cuboctahedra. All K–Mn bond lengths are 4.20 Å. Mn is bonded to twelve K atoms to form MnK12 cuboctahedra that share corners with four equivalent MnK12 cuboctahedra, corners with twenty-four KK4Mn4 cuboctahedra, edges with eight equivalent KK4Mn4 cuboctahedra, edges with eight equivalent MnK12 cuboctahedra, faces with four equivalent MnK12 cuboctahedra, and faces with six equivalent KK8Mn4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1184916
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; K-Mn; K3Mn; crystal structure
- OSTI Identifier:
- 1754792
- DOI:
- https://doi.org/10.17188/1754792
Citation Formats
Materials Data on K3Mn by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1754792.
Materials Data on K3Mn by Materials Project. United States. doi:https://doi.org/10.17188/1754792
2020.
"Materials Data on K3Mn by Materials Project". United States. doi:https://doi.org/10.17188/1754792. https://www.osti.gov/servlets/purl/1754792. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1754792,
title = {Materials Data on K3Mn by Materials Project},
abstractNote = {K3Mn is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to four equivalent K and four equivalent Mn atoms to form distorted KK4Mn4 cuboctahedra that share corners with eight equivalent MnK12 cuboctahedra, corners with sixteen KK4Mn4 cuboctahedra, edges with four equivalent MnK12 cuboctahedra, edges with sixteen KK4Mn4 cuboctahedra, and faces with six equivalent KK4Mn4 cuboctahedra. All K–K bond lengths are 4.08 Å. All K–Mn bond lengths are 4.08 Å. In the second K site, K is bonded to eight equivalent K and four equivalent Mn atoms to form KK8Mn4 cuboctahedra that share corners with eight equivalent MnK12 cuboctahedra, corners with twenty KK4Mn4 cuboctahedra, edges with sixteen KK4Mn4 cuboctahedra, faces with four equivalent KK8Mn4 cuboctahedra, and faces with six equivalent MnK12 cuboctahedra. All K–Mn bond lengths are 4.20 Å. Mn is bonded to twelve K atoms to form MnK12 cuboctahedra that share corners with four equivalent MnK12 cuboctahedra, corners with twenty-four KK4Mn4 cuboctahedra, edges with eight equivalent KK4Mn4 cuboctahedra, edges with eight equivalent MnK12 cuboctahedra, faces with four equivalent MnK12 cuboctahedra, and faces with six equivalent KK8Mn4 cuboctahedra.},
doi = {10.17188/1754792},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sun May 03 04:00:00 UTC 2020},
month = {Sun May 03 04:00:00 UTC 2020}
}