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Title: Materials Data on BaAgP by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1272949· OSTI ID:1272949

BaAgP is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba2+ is bonded to six equivalent Ag1+ and six equivalent P3- atoms to form a mixture of edge and face-sharing BaAg6P6 cuboctahedra. All Ba–Ag bond lengths are 3.46 Å. All Ba–P bond lengths are 3.46 Å. Ag1+ is bonded in a distorted trigonal planar geometry to six equivalent Ba2+ and three equivalent P3- atoms. All Ag–P bond lengths are 2.62 Å. P3- is bonded in a 3-coordinate geometry to six equivalent Ba2+ and three equivalent Ag1+ 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:
1272949
Report Number(s):
mp-9899
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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