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Title: Materials Data on NaMnSb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1196205· OSTI ID:1196205

NaMnSb is Matlockite structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Na1+ is bonded to five equivalent Sb3- atoms to form distorted NaSb5 trigonal bipyramids that share corners with twelve equivalent MnSb4 tetrahedra, corners with four equivalent NaSb5 trigonal bipyramids, edges with four equivalent MnSb4 tetrahedra, and edges with eight equivalent NaSb5 trigonal bipyramids. There are one shorter (3.25 Å) and four longer (3.28 Å) Na–Sb bond lengths. Mn2+ is bonded to four equivalent Sb3- atoms to form MnSb4 tetrahedra that share corners with four equivalent MnSb4 tetrahedra, corners with twelve equivalent NaSb5 trigonal bipyramids, edges with four equivalent MnSb4 tetrahedra, and edges with four equivalent NaSb5 trigonal bipyramids. All Mn–Sb bond lengths are 2.75 Å. Sb3- is bonded in a 9-coordinate geometry to five equivalent Na1+ and four equivalent Mn2+ atoms.

Research Organization:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Contributing Organization:
MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231; EDCBEE
OSTI ID:
1196205
Report Number(s):
mp-20970
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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