Materials Data on KMnAs by Materials Project
KMnAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. K1+ is bonded in a 5-coordinate geometry to five equivalent As3- atoms. There are four shorter (3.40 Å) and one longer (3.84 Å) K–As bond lengths. Mn2+ is bonded to four equivalent As3- atoms to form a mixture of corner and edge-sharing MnAs4 tetrahedra. All Mn–As bond lengths are 2.58 Å. As3- is bonded in a 9-coordinate geometry to five equivalent K1+ and four equivalent Mn2+ atoms.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1197193
- Report Number(s):
- mp-21847
- Country of Publication:
- United States
- Language:
- English
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