Materials Data on Ag2H21N7(ClO4)2 by Materials Project
(Ag(NH3)2)2(AgN3H7O4)2(NH3)2(H2)2(NH2O)2H2O2(ClO2)2Cl2 crystallizes in the triclinic P1 space group. The structure is zero-dimensional and consists of one ammonia molecule, one hydrochloric acid molecule, one hydrogen molecule, one hydroxylamine molecule, one hypochlorous acid;hydrate molecule, one water molecule, one Ag(NH3)2 cluster, and one AgN3H7O4 cluster. In the Ag(NH3)2 cluster, Ag1+ is bonded in a distorted bent 120 degrees geometry to two N+0.71- atoms. There are one shorter (2.14 Å) and one longer (2.15 Å) Ag–N bond lengths. There are two inequivalent N+0.71- sites. In the first N+0.71- site, N+0.71- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and three H1+ atoms. All N–H bond lengths are 1.02 Å. In the second N+0.71- site, N+0.71- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and three H1+ atoms. There is two shorter (1.02 Å) and one longer (1.06 Å) N–H bond length. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the AgN3H7O4 cluster, Ag1+ is bonded in a 2-coordinate geometry to three N+0.71- atoms. There are a spread of Ag–N bond distances ranging from 2.05–2.71 Å. There are three inequivalent N+0.71- sites. In the first N+0.71- site, N+0.71- is bonded in a 2-coordinate geometry to one Ag1+, two H1+, and one O2- atom. Both N–H bond lengths are 1.03 Å. The N–O bond length is 1.46 Å. In the second N+0.71- site, N+0.71- is bonded in a distorted bent 120 degrees geometry to one Ag1+ and one H1+ atom. The N–H bond length is 1.04 Å. In the third N+0.71- site, N+0.71- is bonded in a distorted trigonal non-coplanar geometry to one Ag1+ and three H1+ atoms. All N–H bond lengths are 1.03 Å. There are seven inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+0.71- atom. In the seventh H1+ site, H1+ is bonded in a linear geometry to two O2- atoms. There is one shorter (1.06 Å) and one longer (1.48 Å) H–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one N+0.71- and one O2- atom. The O–O bond length is 1.34 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one H1+ and one O2- atom. In the third O2- site, O2- is bonded in a single-bond geometry to one H1+ and one O2- atom. The O–O bond length is 1.34 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one O2- 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:
- 1284394
- Report Number(s):
- mp-686742
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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