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Title: Materials Data on ReH2NCl4O by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1726884· OSTI ID:1726884

ReNH2OCl4 is beta Sn-like structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four ReNH2OCl4 clusters. Re7+ is bonded in a distorted octahedral geometry to one N3-, one O2-, and four Cl1- atoms. The Re–N bond length is 1.68 Å. The Re–O bond length is 2.48 Å. There are two shorter (2.31 Å) and two longer (2.33 Å) Re–Cl bond lengths. N3- is bonded in a single-bond geometry to one Re7+ atom. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. O2- is bonded in a water-like geometry to one Re7+ and two equivalent H1+ atoms. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one Re7+ 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:
1726884
Report Number(s):
mp-1203672
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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