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Title: Materials Data on U2Mn(PO11)2 by Materials Project

Abstract

(UPO6)2MnO10 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MnO10 clusters and two UPO6 sheets oriented in the (0, 1, 0) direction. In each MnO10 cluster, Mn is bonded in a distorted octahedral geometry to six O atoms. There is two shorter (1.66 Å) and four longer (2.26 Å) Mn–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mn atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mn and one O atom. In each UPO6 sheet, U is bonded to six O atoms to form UO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are two shorter (1.81 Å) and four longer (2.28 Å) U–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedral tilt angles are 36°. All P–O bond lengths are 1.55 Å. There are four inequivalent Omore » sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one P atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1193764
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; U2Mn(PO11)2; Mn-O-P-U
OSTI Identifier:
1751843
DOI:
https://doi.org/10.17188/1751843

Citation Formats

The Materials Project. Materials Data on U2Mn(PO11)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751843.
The Materials Project. Materials Data on U2Mn(PO11)2 by Materials Project. United States. doi:https://doi.org/10.17188/1751843
The Materials Project. 2020. "Materials Data on U2Mn(PO11)2 by Materials Project". United States. doi:https://doi.org/10.17188/1751843. https://www.osti.gov/servlets/purl/1751843. Pub date:Fri May 01 00:00:00 EDT 2020
@article{osti_1751843,
title = {Materials Data on U2Mn(PO11)2 by Materials Project},
author = {The Materials Project},
abstractNote = {(UPO6)2MnO10 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two MnO10 clusters and two UPO6 sheets oriented in the (0, 1, 0) direction. In each MnO10 cluster, Mn is bonded in a distorted octahedral geometry to six O atoms. There is two shorter (1.66 Å) and four longer (2.26 Å) Mn–O bond length. There are three inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Mn atom. In the second O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.24 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Mn and one O atom. In each UPO6 sheet, U is bonded to six O atoms to form UO6 octahedra that share corners with four equivalent PO4 tetrahedra. There are two shorter (1.81 Å) and four longer (2.28 Å) U–O bond lengths. P is bonded to four O atoms to form PO4 tetrahedra that share corners with four equivalent UO6 octahedra. The corner-sharing octahedral tilt angles are 36°. All P–O bond lengths are 1.55 Å. There are four inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one U atom. In the second O site, O is bonded in a single-bond geometry to one U atom. In the third O site, O is bonded in a bent 150 degrees geometry to one U and one P atom. In the fourth O site, O is bonded in a bent 150 degrees geometry to one U and one P atom.},
doi = {10.17188/1751843},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}