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Title: Materials Data on CsAuSe by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1276590· OSTI ID:1276590

CsAuSe crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a 7-coordinate geometry to two equivalent Au1+ and five equivalent Se2- atoms. Both Cs–Au bond lengths are 3.71 Å. There are a spread of Cs–Se bond distances ranging from 3.72–3.93 Å. Au1+ is bonded in a distorted square co-planar geometry to two equivalent Cs1+ and two equivalent Se2- atoms. Both Au–Se bond lengths are 2.46 Å. Se2- is bonded to five equivalent Cs1+ and two equivalent Au1+ atoms to form a mixture of corner and edge-sharing SeCs5Au2 pentagonal bipyramids.

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:
1276590
Report Number(s):
mp-574599
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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