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Title: Materials Data on H9OsN7Cl2 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1286234· OSTI ID:1286234

OsN7H9Cl2 crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of eight hydrochloric acid molecules and four OsN7H9 clusters. In each OsN7H9 cluster, Os6+ is bonded in an octahedral geometry to six N+1.86- atoms. There are a spread of Os–N bond distances ranging from 1.80–2.16 Å. There are six inequivalent N+1.86- sites. In the first N+1.86- site, N+1.86- is bonded in a linear geometry to one Os6+ and one N+1.86- atom. The N–N bond length is 1.12 Å. In the second N+1.86- site, N+1.86- is bonded in a single-bond geometry to one N+1.86- atom. In the third N+1.86- site, N+1.86- is bonded in a trigonal non-coplanar geometry to one Os6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the fourth N+1.86- site, N+1.86- is bonded in a trigonal non-coplanar geometry to one Os6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the fifth N+1.86- site, N+1.86- is bonded in a trigonal non-coplanar geometry to one Os6+ and three H1+ atoms. There is one shorter (1.02 Å) and two longer (1.04 Å) N–H bond length. In the sixth N+1.86- site, N+1.86- is bonded in a single-bond geometry to one Os6+ atom. There are six inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one N+1.86- 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:
1286234
Report Number(s):
mp-706624
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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