Materials Data on KAg2SbS4 by Materials Project
KAg2SbS4 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. K1+ is bonded in a 4-coordinate geometry to eight equivalent S2- atoms. There are four shorter (3.20 Å) and four longer (3.76 Å) K–S bond lengths. Ag1+ is bonded to four equivalent S2- atoms to form distorted AgS4 trigonal pyramids that share corners with four equivalent SbS4 tetrahedra and corners with four equivalent AgS4 trigonal pyramids. All Ag–S bond lengths are 2.62 Å. Sb5+ is bonded to four equivalent S2- atoms to form SbS4 tetrahedra that share corners with eight equivalent AgS4 trigonal pyramids. All Sb–S bond lengths are 2.38 Å. S2- is bonded in a 4-coordinate geometry to two equivalent K1+, two equivalent Ag1+, and one Sb5+ atom.
- 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:
- 1313279
- Report Number(s):
- mp-9490
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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