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Materials Data on CsMnAs by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1730182· OSTI ID:1730182
CsMnAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CsMnAs sheet oriented in the (0, 0, 1) direction. Cs1+ is bonded in a 4-coordinate geometry to four equivalent As3- atoms. All Cs–As bond lengths are 3.62 Å. Mn2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing MnAs4 tetrahedra. All Mn–As bond lengths are 2.61 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Cs1+ 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:
1730182
Report Number(s):
mp-1071293
Country of Publication:
United States
Language:
English

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