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Title: Materials Data on MnFeP2 by Materials Project

Abstract

MnFeP2 is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Mn2+ is bonded to six P+2.50- atoms to form distorted MnP6 octahedra that share corners with four equivalent MnP6 octahedra, corners with eight equivalent FeP6 octahedra, edges with two equivalent MnP6 octahedra, edges with four equivalent FeP6 octahedra, and faces with two equivalent MnP6 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. There are a spread of Mn–P bond distances ranging from 2.27–2.38 Å. Fe3+ is bonded to six P+2.50- atoms to form distorted FeP6 octahedra that share corners with four equivalent FeP6 octahedra, corners with eight equivalent MnP6 octahedra, edges with two equivalent FeP6 octahedra, edges with four equivalent MnP6 octahedra, and faces with two equivalent FeP6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Fe–P bond distances ranging from 2.22–2.34 Å. There are two inequivalent P+2.50- sites. In the first P+2.50- site, P+2.50- is bonded in a 6-coordinate geometry to four equivalent Mn2+ and two equivalent Fe3+ atoms. In the second P+2.50- site, P+2.50- is bonded in a 6-coordinate geometry to two equivalent Mn2+ and four equivalent Fe3+ atoms.

Publication Date:
Other Number(s):
mp-1221626
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; MnFeP2; Fe-Mn-P
OSTI Identifier:
1726906
DOI:
https://doi.org/10.17188/1726906

Citation Formats

The Materials Project. Materials Data on MnFeP2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1726906.
The Materials Project. Materials Data on MnFeP2 by Materials Project. United States. doi:https://doi.org/10.17188/1726906
The Materials Project. 2020. "Materials Data on MnFeP2 by Materials Project". United States. doi:https://doi.org/10.17188/1726906. https://www.osti.gov/servlets/purl/1726906. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1726906,
title = {Materials Data on MnFeP2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnFeP2 is Modderite-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. Mn2+ is bonded to six P+2.50- atoms to form distorted MnP6 octahedra that share corners with four equivalent MnP6 octahedra, corners with eight equivalent FeP6 octahedra, edges with two equivalent MnP6 octahedra, edges with four equivalent FeP6 octahedra, and faces with two equivalent MnP6 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. There are a spread of Mn–P bond distances ranging from 2.27–2.38 Å. Fe3+ is bonded to six P+2.50- atoms to form distorted FeP6 octahedra that share corners with four equivalent FeP6 octahedra, corners with eight equivalent MnP6 octahedra, edges with two equivalent FeP6 octahedra, edges with four equivalent MnP6 octahedra, and faces with two equivalent FeP6 octahedra. The corner-sharing octahedra tilt angles range from 44–56°. There are a spread of Fe–P bond distances ranging from 2.22–2.34 Å. There are two inequivalent P+2.50- sites. In the first P+2.50- site, P+2.50- is bonded in a 6-coordinate geometry to four equivalent Mn2+ and two equivalent Fe3+ atoms. In the second P+2.50- site, P+2.50- is bonded in a 6-coordinate geometry to two equivalent Mn2+ and four equivalent Fe3+ atoms.},
doi = {10.17188/1726906},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}