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Title: Materials Data on Mn4Fe2P3 by Materials Project

Abstract

Mn4Fe2P3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are three shorter (2.46 Å) and two longer (2.47 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.64 Å) and two longer (2.68 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.32 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.63 Å) and two longer (2.69 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.31 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. All Mn–Fe bond lengths are 2.70 Å. There are a spread of Mn–P bond distances ranging from 2.26–2.31 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to six Mn and five Pmore » atoms. There are a spread of Fe–P bond distances ranging from 2.45–2.50 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to six Mn and five P atoms. There are a spread of Fe–P bond distances ranging from 2.45–2.50 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to five Mn and four Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to five Mn and four Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to seven Mn and two Fe atoms.« less

Publication Date:
Other Number(s):
mp-1221794
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; Mn4Fe2P3; Fe-Mn-P
OSTI Identifier:
1707037
DOI:
https://doi.org/10.17188/1707037

Citation Formats

The Materials Project. Materials Data on Mn4Fe2P3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707037.
The Materials Project. Materials Data on Mn4Fe2P3 by Materials Project. United States. doi:https://doi.org/10.17188/1707037
The Materials Project. 2019. "Materials Data on Mn4Fe2P3 by Materials Project". United States. doi:https://doi.org/10.17188/1707037. https://www.osti.gov/servlets/purl/1707037. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1707037,
title = {Materials Data on Mn4Fe2P3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn4Fe2P3 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are four inequivalent Mn sites. In the first Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are three shorter (2.46 Å) and two longer (2.47 Å) Mn–P bond lengths. In the second Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.64 Å) and two longer (2.68 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.32 Å. In the third Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. There are two shorter (2.63 Å) and two longer (2.69 Å) Mn–Fe bond lengths. There are a spread of Mn–P bond distances ranging from 2.28–2.31 Å. In the fourth Mn site, Mn is bonded in a 4-coordinate geometry to four Fe and four P atoms. All Mn–Fe bond lengths are 2.70 Å. There are a spread of Mn–P bond distances ranging from 2.26–2.31 Å. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded in a 11-coordinate geometry to six Mn and five P atoms. There are a spread of Fe–P bond distances ranging from 2.45–2.50 Å. In the second Fe site, Fe is bonded in a 11-coordinate geometry to six Mn and five P atoms. There are a spread of Fe–P bond distances ranging from 2.45–2.50 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to five Mn and four Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to five Mn and four Fe atoms. In the third P site, P is bonded in a 9-coordinate geometry to seven Mn and two Fe atoms.},
doi = {10.17188/1707037},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}