DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Mn3TeO6 by Materials Project

Abstract

Mn3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TeO6 octahedra, corners with three equivalent MnO6 pentagonal pyramids, and a faceface with one MnO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 38–43°. There are three shorter (2.14 Å) and three longer (2.33 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.16 Å) and three longer (2.38 Å) Mn–O bond lengths. In the third Mn2+ site, Mn2+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent MnO6 octahedra, edges with three equivalent TeO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are three shorter (2.13 Å) and three longer (2.34 Å) Mn–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with three equivalent MnO6 pentagonal pyramids.more » The corner-sharing octahedra tilt angles range from 38–43°. There is three shorter (1.96 Å) and three longer (1.98 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to three Mn2+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Mn2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMn3Te trigonal pyramids.« less

Publication Date:
Other Number(s):
mp-770690
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; Mn3TeO6; Mn-O-Te
OSTI Identifier:
1300017
DOI:
https://doi.org/10.17188/1300017

Citation Formats

The Materials Project. Materials Data on Mn3TeO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1300017.
The Materials Project. Materials Data on Mn3TeO6 by Materials Project. United States. doi:https://doi.org/10.17188/1300017
The Materials Project. 2020. "Materials Data on Mn3TeO6 by Materials Project". United States. doi:https://doi.org/10.17188/1300017. https://www.osti.gov/servlets/purl/1300017. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1300017,
title = {Materials Data on Mn3TeO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Mn3TeO6 is Ilmenite-like structured and crystallizes in the trigonal R3 space group. The structure is three-dimensional. there are three inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent TeO6 octahedra, corners with three equivalent MnO6 pentagonal pyramids, and a faceface with one MnO6 pentagonal pyramid. The corner-sharing octahedra tilt angles range from 38–43°. There are three shorter (2.14 Å) and three longer (2.33 Å) Mn–O bond lengths. In the second Mn2+ site, Mn2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are three shorter (2.16 Å) and three longer (2.38 Å) Mn–O bond lengths. In the third Mn2+ site, Mn2+ is bonded to six O2- atoms to form distorted MnO6 pentagonal pyramids that share corners with three equivalent MnO6 octahedra, edges with three equivalent TeO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 68°. There are three shorter (2.13 Å) and three longer (2.34 Å) Mn–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six equivalent MnO6 octahedra and edges with three equivalent MnO6 pentagonal pyramids. The corner-sharing octahedra tilt angles range from 38–43°. There is three shorter (1.96 Å) and three longer (1.98 Å) Te–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to three Mn2+ and one Te6+ atom. In the second O2- site, O2- is bonded to three Mn2+ and one Te6+ atom to form a mixture of distorted edge and corner-sharing OMn3Te trigonal pyramids.},
doi = {10.17188/1300017},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}