skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Pr2Mn4Co13 by Materials Project

Abstract

Pr2Mn4Co13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to three equivalent Mn and sixteen Co atoms. All Pr–Mn bond lengths are 3.23 Å. There are a spread of Pr–Co bond distances ranging from 3.03–3.22 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to four Mn and fifteen Co atoms. There are one shorter (3.08 Å) and three longer (3.33 Å) Pr–Mn bond lengths. There are a spread of Pr–Co bond distances ranging from 3.06–3.21 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to two Pr, one Mn, and nine Co atoms. The Mn–Mn bond length is 2.66 Å. There are a spread of Mn–Co bond distances ranging from 2.42–2.55 Å. In the second Mn site, Mn is bonded in a 1-coordinate geometry to one Pr, three equivalent Mn, and ten Co atoms. There are a spread of Mn–Co bond distances ranging from 2.37–2.69 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometrymore » to two Pr, three Mn, and seven Co atoms. There are a spread of Co–Co bond distances ranging from 2.42–2.70 Å. In the second Co site, Co is bonded to three Pr, three Mn, and six Co atoms to form a mixture of distorted face, edge, and corner-sharing CoPr3Mn3Co6 cuboctahedra. Both Co–Co bond lengths are 2.46 Å. In the third Co site, Co is bonded to three Pr, two equivalent Mn, and seven Co atoms to form a mixture of distorted face, edge, and corner-sharing CoPr3Mn2Co7 cuboctahedra. The Co–Co bond length is 2.65 Å. In the fourth Co site, Co is bonded in a 4-coordinate geometry to one Pr, four Mn, and nine Co atoms.« less

Publication Date:
Other Number(s):
mp-1219878
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; Pr2Mn4Co13; Co-Mn-Pr
OSTI Identifier:
1662235
DOI:
https://doi.org/10.17188/1662235

Citation Formats

The Materials Project. Materials Data on Pr2Mn4Co13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662235.
The Materials Project. Materials Data on Pr2Mn4Co13 by Materials Project. United States. doi:https://doi.org/10.17188/1662235
The Materials Project. 2020. "Materials Data on Pr2Mn4Co13 by Materials Project". United States. doi:https://doi.org/10.17188/1662235. https://www.osti.gov/servlets/purl/1662235. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1662235,
title = {Materials Data on Pr2Mn4Co13 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2Mn4Co13 crystallizes in the trigonal R3m space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 10-coordinate geometry to three equivalent Mn and sixteen Co atoms. All Pr–Mn bond lengths are 3.23 Å. There are a spread of Pr–Co bond distances ranging from 3.03–3.22 Å. In the second Pr site, Pr is bonded in a 10-coordinate geometry to four Mn and fifteen Co atoms. There are one shorter (3.08 Å) and three longer (3.33 Å) Pr–Mn bond lengths. There are a spread of Pr–Co bond distances ranging from 3.06–3.21 Å. There are two inequivalent Mn sites. In the first Mn site, Mn is bonded in a 9-coordinate geometry to two Pr, one Mn, and nine Co atoms. The Mn–Mn bond length is 2.66 Å. There are a spread of Mn–Co bond distances ranging from 2.42–2.55 Å. In the second Mn site, Mn is bonded in a 1-coordinate geometry to one Pr, three equivalent Mn, and ten Co atoms. There are a spread of Mn–Co bond distances ranging from 2.37–2.69 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 12-coordinate geometry to two Pr, three Mn, and seven Co atoms. There are a spread of Co–Co bond distances ranging from 2.42–2.70 Å. In the second Co site, Co is bonded to three Pr, three Mn, and six Co atoms to form a mixture of distorted face, edge, and corner-sharing CoPr3Mn3Co6 cuboctahedra. Both Co–Co bond lengths are 2.46 Å. In the third Co site, Co is bonded to three Pr, two equivalent Mn, and seven Co atoms to form a mixture of distorted face, edge, and corner-sharing CoPr3Mn2Co7 cuboctahedra. The Co–Co bond length is 2.65 Å. In the fourth Co site, Co is bonded in a 4-coordinate geometry to one Pr, four Mn, and nine Co atoms.},
doi = {10.17188/1662235},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}