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Materials Data on NaMgAs by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1277203· OSTI ID:1277203
NaMgAs is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded in a 5-coordinate geometry to five equivalent As3- atoms. There are one shorter (3.00 Å) and four longer (3.31 Å) Na–As bond lengths. Mg2+ is bonded to four equivalent As3- atoms to form a mixture of edge and corner-sharing MgAs4 tetrahedra. All Mg–As bond lengths are 2.71 Å. As3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Mg2+ 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:
1277203
Report Number(s):
mp-5962
Country of Publication:
United States
Language:
English

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