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Title: Materials Data on Ba(CuP2)2 by Materials Project

Abstract

Ba(CuP2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent P1- atoms. There are four shorter (3.24 Å) and four longer (3.36 Å) Ba–P bond lengths. Cu1+ is bonded to four equivalent P1- atoms to form edge-sharing CuP4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.37 Å) Cu–P bond lengths. P1- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Cu1+, and two equivalent P1- atoms. There are one shorter (2.19 Å) and one longer (2.34 Å) P–P bond lengths.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-568474
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; Ba(CuP2)2; Ba-Cu-P
OSTI Identifier:
1274452
DOI:
10.17188/1274452

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Ba(CuP2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274452.
Persson, Kristin, & Project, Materials. Materials Data on Ba(CuP2)2 by Materials Project. United States. doi:10.17188/1274452.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Ba(CuP2)2 by Materials Project". United States. doi:10.17188/1274452. https://www.osti.gov/servlets/purl/1274452. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1274452,
title = {Materials Data on Ba(CuP2)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Ba(CuP2)2 crystallizes in the orthorhombic Fddd space group. The structure is three-dimensional. Ba2+ is bonded in a 8-coordinate geometry to eight equivalent P1- atoms. There are four shorter (3.24 Å) and four longer (3.36 Å) Ba–P bond lengths. Cu1+ is bonded to four equivalent P1- atoms to form edge-sharing CuP4 tetrahedra. There are two shorter (2.32 Å) and two longer (2.37 Å) Cu–P bond lengths. P1- is bonded in a 6-coordinate geometry to two equivalent Ba2+, two equivalent Cu1+, and two equivalent P1- atoms. There are one shorter (2.19 Å) and one longer (2.34 Å) P–P bond lengths.},
doi = {10.17188/1274452},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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