Materials Data on MnCuAs by Materials Project
CuMnAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent As3- atoms to form a mixture of edge and corner-sharing MnAs5 square pyramids. There are one shorter (2.49 Å) and four longer (2.64 Å) Mn–As bond lengths. Cu1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. All Cu–As bond lengths are 2.56 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Cu1+ 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:
- 1350420
- Report Number(s):
- mp-1018800
- Country of Publication:
- United States
- Language:
- English
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