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Title: Materials Data on LaPr3(CoP)8 by Materials Project

Abstract

Pr3La(CoP)8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a body-centered cubic geometry to eight P3- atoms. All Pr–P bond lengths are 3.08 Å. In the second Pr3+ site, Pr3+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Pr–P bond lengths are 3.09 Å. La3+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All La–P bond lengths are 3.10 Å. There are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.25 Å. In the second Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.26 Å) Co–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Co+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to four equivalentmore » Pr3+ and four equivalent Co+1.50+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Pr3+ and four equivalent Co+1.50+ atoms. In the fourth P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Pr3+ and four equivalent Co+1.50+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1222925
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; LaPr3(CoP)8; Co-La-P-Pr
OSTI Identifier:
1758072
DOI:
https://doi.org/10.17188/1758072

Citation Formats

The Materials Project. Materials Data on LaPr3(CoP)8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758072.
The Materials Project. Materials Data on LaPr3(CoP)8 by Materials Project. United States. doi:https://doi.org/10.17188/1758072
The Materials Project. 2020. "Materials Data on LaPr3(CoP)8 by Materials Project". United States. doi:https://doi.org/10.17188/1758072. https://www.osti.gov/servlets/purl/1758072. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758072,
title = {Materials Data on LaPr3(CoP)8 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3La(CoP)8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr3+ sites. In the first Pr3+ site, Pr3+ is bonded in a body-centered cubic geometry to eight P3- atoms. All Pr–P bond lengths are 3.08 Å. In the second Pr3+ site, Pr3+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All Pr–P bond lengths are 3.09 Å. La3+ is bonded in a body-centered cubic geometry to eight equivalent P3- atoms. All La–P bond lengths are 3.10 Å. There are two inequivalent Co+1.50+ sites. In the first Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. All Co–P bond lengths are 2.25 Å. In the second Co+1.50+ site, Co+1.50+ is bonded to four P3- atoms to form a mixture of edge and corner-sharing CoP4 tetrahedra. There are two shorter (2.25 Å) and two longer (2.26 Å) Co–P bond lengths. There are four inequivalent P3- sites. In the first P3- site, P3- is bonded in a 4-coordinate geometry to four equivalent La3+ and four equivalent Co+1.50+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Pr3+ and four equivalent Co+1.50+ atoms. In the third P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Pr3+ and four equivalent Co+1.50+ atoms. In the fourth P3- site, P3- is bonded in a 9-coordinate geometry to four equivalent Pr3+ and four equivalent Co+1.50+ atoms.},
doi = {10.17188/1758072},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}