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Title: Materials Data on NdMn3V4O12 by Materials Project

Abstract

NdV4Mn3O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share faces with eight equivalent VO6 octahedra. All Nd–O bond lengths are 2.66 Å. V+3.75+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with two equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 34°. All V–O bond lengths are 1.98 Å. Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.10 Å. O2- is bonded in a 3-coordinate geometry to one Nd3+, two equivalent V+3.75+, and one Mn2+ atom.

Publication Date:
Other Number(s):
mp-1105305
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; NdMn3V4O12; Mn-Nd-O-V
OSTI Identifier:
1651718
DOI:
https://doi.org/10.17188/1651718

Citation Formats

The Materials Project. Materials Data on NdMn3V4O12 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1651718.
The Materials Project. Materials Data on NdMn3V4O12 by Materials Project. United States. doi:https://doi.org/10.17188/1651718
The Materials Project. 2020. "Materials Data on NdMn3V4O12 by Materials Project". United States. doi:https://doi.org/10.17188/1651718. https://www.osti.gov/servlets/purl/1651718. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1651718,
title = {Materials Data on NdMn3V4O12 by Materials Project},
author = {The Materials Project},
abstractNote = {NdV4Mn3O12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Nd3+ is bonded to twelve equivalent O2- atoms to form NdO12 cuboctahedra that share faces with eight equivalent VO6 octahedra. All Nd–O bond lengths are 2.66 Å. V+3.75+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with two equivalent NdO12 cuboctahedra. The corner-sharing octahedral tilt angles are 34°. All V–O bond lengths are 1.98 Å. Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.10 Å. O2- is bonded in a 3-coordinate geometry to one Nd3+, two equivalent V+3.75+, and one Mn2+ atom.},
doi = {10.17188/1651718},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}