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Title: Materials Data on CaSbAu by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1191693· OSTI ID:1191693

CaAuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ca2+ is bonded to six equivalent Au1+ and six equivalent Sb3- atoms to form a mixture of distorted edge and face-sharing CaSb6Au6 cuboctahedra. All Ca–Au bond lengths are 3.41 Å. All Ca–Sb bond lengths are 3.41 Å. Au1+ is bonded in a trigonal planar geometry to six equivalent Ca2+ and three equivalent Sb3- atoms. All Au–Sb bond lengths are 2.71 Å. Sb3- is bonded in a 3-coordinate geometry to six equivalent Ca2+ and three equivalent Au1+ atoms.

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:
1191693
Report Number(s):
mp-16245
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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