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Title: Materials Data on AgAsS by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1316604· OSTI ID:1316604

AgAsS crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ag3+ is bonded to one As1- and three equivalent S2- atoms to form AgAsS3 tetrahedra that share a cornercorner with one SAg3As tetrahedra and corners with six equivalent AgAsS3 tetrahedra. The Ag–As bond length is 2.63 Å. There are one shorter (2.55 Å) and two longer (2.57 Å) Ag–S bond lengths. As1- is bonded in a 4-coordinate geometry to one Ag3+, two equivalent As1-, and one S2- atom. Both As–As bond lengths are 2.59 Å. The As–S bond length is 2.25 Å. S2- is bonded to three equivalent Ag3+ and one As1- atom to form SAg3As tetrahedra that share a cornercorner with one AgAsS3 tetrahedra and corners with six equivalent SAg3As tetrahedra.

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:
1316604
Report Number(s):
mp-984714
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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