Materials Data on AgH10S8N8ClO6 by Materials Project
(AgH8(NS)8)2(H2O)2O2(ClO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two hydrogen peroxide molecules, four water molecules, four AgH8(NS)8 clusters, and four ClO4 clusters. In each AgH8(NS)8 cluster, Ag3+ is bonded in a 8-coordinate geometry to eight S2- atoms. There are a spread of Ag–S bond distances ranging from 2.76–3.28 Å. There are eight inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a distorted trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.02 Å. There is one shorter (1.68 Å) and one longer (1.69 Å) N–S bond length. In the second N2+ site, N2+ is bonded in a distorted trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.02 Å. There is one shorter (1.68 Å) and one longer (1.69 Å) N–S bond length. In the third N2+ site, N2+ is bonded in a trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.03 Å. There is one shorter (1.68 Å) and one longer (1.69 Å) N–S bond length. In the fourth N2+ site, N2+ is bonded in a distorted trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.02 Å. There is one shorter (1.67 Å) and one longer (1.68 Å) N–S bond length. In the fifth N2+ site, N2+ is bonded in a water-like geometry to two S2- atoms. There is one shorter (1.62 Å) and one longer (1.69 Å) N–S bond length. In the sixth N2+ site, N2+ is bonded in a distorted trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.02 Å. There is one shorter (1.67 Å) and one longer (1.70 Å) N–S bond length. In the seventh N2+ site, N2+ is bonded in a distorted trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.04 Å. There is one shorter (1.68 Å) and one longer (1.69 Å) N–S bond length. In the eighth N2+ site, N2+ is bonded in a distorted trigonal planar geometry to one H1+ and two S2- atoms. The N–H bond length is 1.03 Å. There is one shorter (1.68 Å) and one longer (1.72 Å) N–S bond length. There are eight inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N2+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N2+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N2+ atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one S2- atom. The H–S bond length is 1.37 Å. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N2+ atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one N2+ atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one N2+ atom. There are eight inequivalent S2- sites. In the first S2- site, S2- is bonded in a water-like geometry to one Ag3+ and two N2+ atoms. In the second S2- site, S2- is bonded in a water-like geometry to one Ag3+ and two N2+ atoms. In the third S2- site, S2- is bonded in a distorted water-like geometry to one Ag3+ and two N2+ atoms. In the fourth S2- site, S2- is bonded in a distorted water-like geometry to one Ag3+ and two N2+ atoms. In the fifth S2- site, S2- is bonded in a 3-coordinate geometry to one Ag3+, two N2+, and one H1+ atom. In the sixth S2- site, S2- is bonded in a distorted water-like geometry to one Ag3+ and two N2+ atoms. In the seventh S2- site, S2- is bonded in a distorted water-like geometry to one Ag3+ and two N2+ atoms. In the eighth S2- site, S2- is bonded in a distorted water-like geometry to one Ag3+ and two N2+ atoms. In each ClO4 cluster, there are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.45 Å. In the second O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.46 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.47 Å. In the fourth O2- site, O2- is bonded in a single-bond geometry to one Cl1- atom. The O–Cl bond length is 1.48 Å. Cl1- is bonded in a tetrahedral geometry to four O2- atoms.
- 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:
- 1715274
- Report Number(s):
- mp-1204384
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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