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Title: Materials Data on BaAgP by Materials Project

Abstract

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.

Publication Date:
Other Number(s):
mp-9899
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaAgP; Ag-Ba-P
OSTI Identifier:
1272949
DOI:
10.17188/1272949

Citation Formats

The Materials Project. Materials Data on BaAgP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272949.
The Materials Project. Materials Data on BaAgP by Materials Project. United States. doi:10.17188/1272949.
The Materials Project. 2020. "Materials Data on BaAgP by Materials Project". United States. doi:10.17188/1272949. https://www.osti.gov/servlets/purl/1272949. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1272949,
title = {Materials Data on BaAgP by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1272949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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