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Title: Materials Data on Au2Se2O7 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1202214· OSTI ID:1202214

Au2Se2O7 crystallizes in the orthorhombic Pba2 space group. The structure is two-dimensional and consists of one Au2Se2O7 sheet oriented in the (1, 0, 0) direction. Au5+ is bonded in a square co-planar geometry to four O2- atoms. There are a spread of Au–O bond distances ranging from 1.99–2.08 Å. Se2+ is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.74–1.76 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Au5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se2+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Au5+ and one Se2+ 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:
1202214
Report Number(s):
mp-28095
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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