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Title: Materials Data on BaCdPF by Materials Project

Abstract

BaFCdP is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent F1- atoms. All Ba–P bond lengths are 3.51 Å. All Ba–F bond lengths are 2.68 Å. Cd2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CdP4 tetrahedra. All Cd–P bond lengths are 2.74 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.

Publication Date:
Other Number(s):
mp-1079603
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; BaCdPF; Ba-Cd-F-P
OSTI Identifier:
1676903
DOI:
https://doi.org/10.17188/1676903

Citation Formats

The Materials Project. Materials Data on BaCdPF by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676903.
The Materials Project. Materials Data on BaCdPF by Materials Project. United States. doi:https://doi.org/10.17188/1676903
The Materials Project. 2020. "Materials Data on BaCdPF by Materials Project". United States. doi:https://doi.org/10.17188/1676903. https://www.osti.gov/servlets/purl/1676903. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1676903,
title = {Materials Data on BaCdPF by Materials Project},
author = {The Materials Project},
abstractNote = {BaFCdP is Parent of FeAs superconductors structured and crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ba2+ is bonded in a 4-coordinate geometry to four equivalent P3- and four equivalent F1- atoms. All Ba–P bond lengths are 3.51 Å. All Ba–F bond lengths are 2.68 Å. Cd2+ is bonded to four equivalent P3- atoms to form a mixture of edge and corner-sharing CdP4 tetrahedra. All Cd–P bond lengths are 2.74 Å. P3- is bonded in a 8-coordinate geometry to four equivalent Ba2+ and four equivalent Cd2+ atoms. F1- is bonded to four equivalent Ba2+ atoms to form a mixture of edge and corner-sharing FBa4 tetrahedra.},
doi = {10.17188/1676903},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}