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Title: Materials Data on BaP3Pt2 by Materials Project

Abstract

BaPt2P3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to one Pt2- atom. The Ba–Pt bond length is 3.39 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four P+0.67+ atoms. There are two shorter (2.34 Å) and two longer (2.38 Å) Pt–P bond lengths. In the second Pt2- site, Pt2- is bonded in a distorted octahedral geometry to two equivalent Ba2+ and four P+0.67+ atoms. There are two shorter (2.37 Å) and two longer (2.46 Å) Pt–P bond lengths. In the third Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four P+0.67+ atoms. There are a spread of Pt–P bond distances ranging from 2.33–2.35 Å. There are three inequivalent P+0.67+ sites. In the first P+0.67+ site, P+0.67+ is bonded in a trigonal planar geometry to three Pt2- atoms. In the second P+0.67+ site, P+0.67+ is bonded in a bent 120 degrees geometry to two Pt2- atoms. In the third P+0.67+ site, P+0.67+ is bonded in a trigonal planar geometry to three Pt2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-28373
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaP3Pt2; Ba-P-Pt
OSTI Identifier:
1202489
DOI:
https://doi.org/10.17188/1202489

Citation Formats

The Materials Project. Materials Data on BaP3Pt2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202489.
The Materials Project. Materials Data on BaP3Pt2 by Materials Project. United States. doi:https://doi.org/10.17188/1202489
The Materials Project. 2020. "Materials Data on BaP3Pt2 by Materials Project". United States. doi:https://doi.org/10.17188/1202489. https://www.osti.gov/servlets/purl/1202489. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1202489,
title = {Materials Data on BaP3Pt2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaPt2P3 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Ba2+ is bonded in a 1-coordinate geometry to one Pt2- atom. The Ba–Pt bond length is 3.39 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a distorted square co-planar geometry to four P+0.67+ atoms. There are two shorter (2.34 Å) and two longer (2.38 Å) Pt–P bond lengths. In the second Pt2- site, Pt2- is bonded in a distorted octahedral geometry to two equivalent Ba2+ and four P+0.67+ atoms. There are two shorter (2.37 Å) and two longer (2.46 Å) Pt–P bond lengths. In the third Pt2- site, Pt2- is bonded in a 4-coordinate geometry to four P+0.67+ atoms. There are a spread of Pt–P bond distances ranging from 2.33–2.35 Å. There are three inequivalent P+0.67+ sites. In the first P+0.67+ site, P+0.67+ is bonded in a trigonal planar geometry to three Pt2- atoms. In the second P+0.67+ site, P+0.67+ is bonded in a bent 120 degrees geometry to two Pt2- atoms. In the third P+0.67+ site, P+0.67+ is bonded in a trigonal planar geometry to three Pt2- atoms.},
doi = {10.17188/1202489},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}