Materials Data on Rb2AgSbS4 by Materials Project
Rb2AgSbS4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.35–3.98 Å. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Rb–S bond distances ranging from 3.42–3.88 Å. Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with two equivalent SbS4 tetrahedra and an edgeedge with one SbS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.54–2.77 Å. Sb5+ is bonded to four S2- atoms to form SbS4 tetrahedra that share corners with two equivalent AgS4 tetrahedra and an edgeedge with one AgS4 tetrahedra. There are three shorter (2.37 Å) and one longer (2.39 Å) Sb–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a 2-coordinate geometry to four Rb1+, one Ag1+, and one Sb5+ atom. In the second S2- site, S2- is bonded in a 6-coordinate geometry to four Rb1+, one Ag1+, and one Sb5+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to four Rb1+, one Ag1+, and one Sb5+ atom. In the fourth S2- site, S2- is bonded in a 6-coordinate geometry to four Rb1+, one 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:
- 1269888
- Report Number(s):
- mp-557540
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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