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Title: Materials Data on BaCuSb by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1188294· OSTI ID:1188294

BaCuSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Sb3- atoms to form a mixture of edge, face, and corner-sharing BaSb6 octahedra. The corner-sharing octahedral tilt angles are 44°. All Ba–Sb bond lengths are 3.59 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Sb3- atoms. All Cu–Sb bond lengths are 2.67 Å. Sb3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Cu1+ 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:
1188294
Report Number(s):
mp-11700
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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