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Title: Materials Data on MnCu(Te2O5)2 by Materials Project

Abstract

MnCu(Te2O5)2 crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. Mn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.23 Å) and four longer (2.47 Å) Mn–O bond lengths. Cu2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.01 Å) and two longer (2.61 Å) Cu–O bond lengths. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn2+, one Cu2+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Te4+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-505342
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; MnCu(Te2O5)2; Cu-Mn-O-Te
OSTI Identifier:
1262498
DOI:
https://doi.org/10.17188/1262498

Citation Formats

The Materials Project. Materials Data on MnCu(Te2O5)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1262498.
The Materials Project. Materials Data on MnCu(Te2O5)2 by Materials Project. United States. doi:https://doi.org/10.17188/1262498
The Materials Project. 2020. "Materials Data on MnCu(Te2O5)2 by Materials Project". United States. doi:https://doi.org/10.17188/1262498. https://www.osti.gov/servlets/purl/1262498. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1262498,
title = {Materials Data on MnCu(Te2O5)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnCu(Te2O5)2 crystallizes in the tetragonal P4_2/nbc space group. The structure is three-dimensional. Mn2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.23 Å) and four longer (2.47 Å) Mn–O bond lengths. Cu2+ is bonded in a distorted octahedral geometry to six O2- atoms. There are four shorter (2.01 Å) and two longer (2.61 Å) Cu–O bond lengths. Te4+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Te–O bond distances ranging from 1.92–2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn2+ and two equivalent Te4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Mn2+, one Cu2+, and one Te4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Cu2+ and two equivalent Te4+ atoms.},
doi = {10.17188/1262498},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Aug 03 00:00:00 EDT 2020},
month = {Mon Aug 03 00:00:00 EDT 2020}
}