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Title: Materials Data on U2Mn12P7 by Materials Project

Abstract

U2Mn12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to six equivalent P atoms. All U–P bond lengths are 2.87 Å. In the second U site, U is bonded in a 12-coordinate geometry to six equivalent P atoms. All U–P bond lengths are 2.87 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.22–2.27 Å. In the second Mn site, Mn is bonded to four P atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.29–2.33 Å. In the third Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.39–2.57 Å. In the fourth Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distancesmore » ranging from 2.30–2.35 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 3-coordinate geometry to nine Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms.« less

Publication Date:
Other Number(s):
mp-17988
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; U2Mn12P7; Mn-P-U
OSTI Identifier:
1192821
DOI:
https://doi.org/10.17188/1192821

Citation Formats

The Materials Project. Materials Data on U2Mn12P7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192821.
The Materials Project. Materials Data on U2Mn12P7 by Materials Project. United States. doi:https://doi.org/10.17188/1192821
The Materials Project. 2020. "Materials Data on U2Mn12P7 by Materials Project". United States. doi:https://doi.org/10.17188/1192821. https://www.osti.gov/servlets/purl/1192821. Pub date:Wed Jun 24 00:00:00 EDT 2020
@article{osti_1192821,
title = {Materials Data on U2Mn12P7 by Materials Project},
author = {The Materials Project},
abstractNote = {U2Mn12P7 crystallizes in the hexagonal P-6 space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a 12-coordinate geometry to six equivalent P atoms. All U–P bond lengths are 2.87 Å. In the second U site, U is bonded in a 12-coordinate geometry to six equivalent P atoms. All U–P bond lengths are 2.87 Å. There are four inequivalent Mn sites. In the first Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.22–2.27 Å. In the second Mn site, Mn is bonded to four P atoms to form a mixture of corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.29–2.33 Å. In the third Mn site, Mn is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Mn–P bond distances ranging from 2.39–2.57 Å. In the fourth Mn site, Mn is bonded to four P atoms to form a mixture of distorted corner and edge-sharing MnP4 tetrahedra. There are a spread of Mn–P bond distances ranging from 2.30–2.35 Å. There are three inequivalent P sites. In the first P site, P is bonded in a 3-coordinate geometry to nine Mn atoms. In the second P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms. In the third P site, P is bonded in a 9-coordinate geometry to two equivalent U and seven Mn atoms.},
doi = {10.17188/1192821},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}