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Title: Materials Data on MnP4 by Materials Project

Abstract

MnP4 is Sylvanite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form a mixture of corner and edge-sharing MnP6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Mn–P bond distances ranging from 2.21–2.41 Å. In the second Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.34 Å. There are eight inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. There are one shorter (2.21 Å) and one longer (2.29 Å) P–P bond lengths. In the second P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are a spread of P–P bond distances ranging from 2.19–2.26 Å. In the third P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.23 Å) and one longer (2.25 Å) P–P bond lengths. In the fourthmore » P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.22 Å) and one longer (2.25 Å) P–P bond lengths. In the fifth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. The P–P bond length is 2.25 Å. In the sixth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms. In the seventh P+0.50- site, P+0.50- is bonded in a 4-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms. The P–P bond length is 2.22 Å. In the eighth P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms.« less

Publication Date:
Other Number(s):
mp-571193
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; MnP4; Mn-P
OSTI Identifier:
1276133
DOI:
10.17188/1276133

Citation Formats

The Materials Project. Materials Data on MnP4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276133.
The Materials Project. Materials Data on MnP4 by Materials Project. United States. doi:10.17188/1276133.
The Materials Project. 2020. "Materials Data on MnP4 by Materials Project". United States. doi:10.17188/1276133. https://www.osti.gov/servlets/purl/1276133. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1276133,
title = {Materials Data on MnP4 by Materials Project},
author = {The Materials Project},
abstractNote = {MnP4 is Sylvanite-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form a mixture of corner and edge-sharing MnP6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Mn–P bond distances ranging from 2.21–2.41 Å. In the second Mn2+ site, Mn2+ is bonded to six P+0.50- atoms to form edge-sharing MnP6 octahedra. There are a spread of Mn–P bond distances ranging from 2.23–2.34 Å. There are eight inequivalent P+0.50- sites. In the first P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. There are one shorter (2.21 Å) and one longer (2.29 Å) P–P bond lengths. In the second P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are a spread of P–P bond distances ranging from 2.19–2.26 Å. In the third P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.23 Å) and one longer (2.25 Å) P–P bond lengths. In the fourth P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms. There are one shorter (2.22 Å) and one longer (2.25 Å) P–P bond lengths. In the fifth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two Mn2+ and two P+0.50- atoms. The P–P bond length is 2.25 Å. In the sixth P+0.50- site, P+0.50- is bonded in a 2-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms. In the seventh P+0.50- site, P+0.50- is bonded in a 4-coordinate geometry to two equivalent Mn2+ and two P+0.50- atoms. The P–P bond length is 2.22 Å. In the eighth P+0.50- site, P+0.50- is bonded in a distorted single-bond geometry to one Mn2+ and three P+0.50- atoms.},
doi = {10.17188/1276133},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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