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Title: Materials Data on Na3AgS2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1313487· OSTI ID:1313487

Na3AgS2 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing NaS4 tetrahedra. All Na–S bond lengths are 2.83 Å. In the second Na1+ site, Na1+ is bonded to four equivalent S2- atoms to form a mixture of corner and edge-sharing NaS4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.87 Å) Na–S bond lengths. Ag1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Ag–S bond lengths are 2.41 Å. S2- is bonded to six Na1+ and one Ag1+ atom to form a mixture of distorted corner and edge-sharing SNa6Ag pentagonal bipyramids.

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:
1313487
Report Number(s):
mp-9634
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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