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Title: Materials Data on CsAuO by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1317358· OSTI ID:1317358

CsAuO crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (3.08 Å) and two longer (3.17 Å) Cs–O bond lengths. Au1+ is bonded in a linear geometry to two equivalent O2- atoms. Both Au–O bond lengths are 2.06 Å. O2- is bonded to four equivalent Cs1+ and two equivalent Au1+ atoms to form a mixture of edge and corner-sharing OCs4Au2 octahedra. The corner-sharing octahedra tilt angles range from 4–8°.

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:
1317358
Report Number(s):
mp-9986
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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