Materials Data on Rb2AgC3(SN)3 by Materials Project
Rb2AgC3(NS)3 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 7-coordinate geometry to five N3- and two S2- atoms. There are a spread of Rb–N bond distances ranging from 3.01–3.21 Å. There are one shorter (3.70 Å) and one longer (3.81 Å) Rb–S bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 7-coordinate geometry to four N3- and three S2- atoms. There are a spread of Rb–N bond distances ranging from 3.04–3.18 Å. There are a spread of Rb–S bond distances ranging from 3.54–3.96 Å. Ag1+ is bonded to four S2- atoms to form corner-sharing AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.55–2.70 Å. There are three inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.65 Å. In the second C4+ site, C4+ is bonded in a distorted single-bond geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.64 Å. In the third C4+ site, C4+ is bonded in a distorted linear geometry to one N3- and one S2- atom. The C–N bond length is 1.19 Å. The C–S bond length is 1.65 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the second N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. In the third N3- site, N3- is bonded in a distorted single-bond geometry to three Rb1+ and one C4+ atom. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to one Rb1+, two equivalent Ag1+, and one C4+ atom. In the second S2- site, S2- is bonded in a 2-coordinate geometry to two Rb1+, one Ag1+, and one C4+ atom. In the third S2- site, S2- is bonded in a 2-coordinate geometry to two Rb1+, one Ag1+, and one C4+ 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:
- 1268885
- Report Number(s):
- mp-555575
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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