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Title: Materials Data on Pr2Mn12Co5 by Materials Project

Abstract

Pr2Mn12Co5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to eighteen Mn atoms. There are a spread of Pr–Mn bond distances ranging from 3.12–3.45 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to twelve Mn and eight Co atoms. There are a spread of Pr–Mn bond distances ranging from 2.97–3.24 Å. There are two shorter (2.84 Å) and six longer (3.21 Å) Pr–Co bond lengths. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two Pr, six Mn, and four Co atoms. There are a spread of Mn–Mn bond distances ranging from 2.28–2.64 Å. There are two shorter (2.39 Å) and two longer (2.63 Å) Mn–Co bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two Pr, six Mn, and four Co atoms. There are a spread of Mn–Mn bond distances ranging from 2.28–2.64 Å. There are two shorter (2.39 Å) and two longer (2.63 Å) Mn–Co bond lengths. In the third Mn site, Mn is bonded inmore » a 12-coordinate geometry to two Pr, six Mn, and four Co atoms. There are two shorter (2.57 Å) and two longer (2.65 Å) Mn–Mn bond lengths. There are two shorter (2.39 Å) and two longer (2.63 Å) Mn–Co bond lengths. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to three Pr, six Mn, and three Co atoms. There are one shorter (2.65 Å) and one longer (2.66 Å) Mn–Mn bond lengths. There are two shorter (2.48 Å) and one longer (2.66 Å) Mn–Co bond lengths. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to three Pr, six Mn, and three Co atoms. There are two shorter (2.48 Å) and one longer (2.65 Å) Mn–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 11-coordinate geometry to one Pr, nine Mn, and four Co atoms. There are one shorter (2.34 Å) and three longer (2.64 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, eight Mn, and two equivalent Co atoms. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, eight Mn, and two equivalent Co atoms.« less

Publication Date:
Other Number(s):
mp-1232416
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; Pr2Mn12Co5; Co-Mn-Pr
OSTI Identifier:
1676670
DOI:
https://doi.org/10.17188/1676670

Citation Formats

The Materials Project. Materials Data on Pr2Mn12Co5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676670.
The Materials Project. Materials Data on Pr2Mn12Co5 by Materials Project. United States. doi:https://doi.org/10.17188/1676670
The Materials Project. 2020. "Materials Data on Pr2Mn12Co5 by Materials Project". United States. doi:https://doi.org/10.17188/1676670. https://www.osti.gov/servlets/purl/1676670. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1676670,
title = {Materials Data on Pr2Mn12Co5 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr2Mn12Co5 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded in a 12-coordinate geometry to eighteen Mn atoms. There are a spread of Pr–Mn bond distances ranging from 3.12–3.45 Å. In the second Pr site, Pr is bonded in a 2-coordinate geometry to twelve Mn and eight Co atoms. There are a spread of Pr–Mn bond distances ranging from 2.97–3.24 Å. There are two shorter (2.84 Å) and six longer (3.21 Å) Pr–Co bond lengths. There are five inequivalent Mn sites. In the first Mn site, Mn is bonded in a 12-coordinate geometry to two Pr, six Mn, and four Co atoms. There are a spread of Mn–Mn bond distances ranging from 2.28–2.64 Å. There are two shorter (2.39 Å) and two longer (2.63 Å) Mn–Co bond lengths. In the second Mn site, Mn is bonded in a 12-coordinate geometry to two Pr, six Mn, and four Co atoms. There are a spread of Mn–Mn bond distances ranging from 2.28–2.64 Å. There are two shorter (2.39 Å) and two longer (2.63 Å) Mn–Co bond lengths. In the third Mn site, Mn is bonded in a 12-coordinate geometry to two Pr, six Mn, and four Co atoms. There are two shorter (2.57 Å) and two longer (2.65 Å) Mn–Mn bond lengths. There are two shorter (2.39 Å) and two longer (2.63 Å) Mn–Co bond lengths. In the fourth Mn site, Mn is bonded in a 12-coordinate geometry to three Pr, six Mn, and three Co atoms. There are one shorter (2.65 Å) and one longer (2.66 Å) Mn–Mn bond lengths. There are two shorter (2.48 Å) and one longer (2.66 Å) Mn–Co bond lengths. In the fifth Mn site, Mn is bonded in a 12-coordinate geometry to three Pr, six Mn, and three Co atoms. There are two shorter (2.48 Å) and one longer (2.65 Å) Mn–Co bond lengths. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 11-coordinate geometry to one Pr, nine Mn, and four Co atoms. There are one shorter (2.34 Å) and three longer (2.64 Å) Co–Co bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, eight Mn, and two equivalent Co atoms. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Pr, eight Mn, and two equivalent Co atoms.},
doi = {10.17188/1676670},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}