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Title: Materials Data on TiMn2O6 by Materials Project

Abstract

TiMn2O6 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one TiMn2O6 sheet oriented in the (2, 0, -1) direction. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share edges with two equivalent TiO6 octahedra and edges with four equivalent MnO6 octahedra. There is four shorter (1.97 Å) and two longer (1.99 Å) Ti–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent TiO6 octahedra and edges with four equivalent MnO6 octahedra. There is one shorter (1.94 Å) and five longer (1.95 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti4+ and two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti4+ and one Mn4+ atom.

Publication Date:
Other Number(s):
mp-775831
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; TiMn2O6; Mn-O-Ti
OSTI Identifier:
1303626
DOI:
10.17188/1303626

Citation Formats

The Materials Project. Materials Data on TiMn2O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1303626.
The Materials Project. Materials Data on TiMn2O6 by Materials Project. United States. doi:10.17188/1303626.
The Materials Project. 2020. "Materials Data on TiMn2O6 by Materials Project". United States. doi:10.17188/1303626. https://www.osti.gov/servlets/purl/1303626. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1303626,
title = {Materials Data on TiMn2O6 by Materials Project},
author = {The Materials Project},
abstractNote = {TiMn2O6 is trigonal omega-derived structured and crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of one TiMn2O6 sheet oriented in the (2, 0, -1) direction. Ti4+ is bonded to six O2- atoms to form TiO6 octahedra that share edges with two equivalent TiO6 octahedra and edges with four equivalent MnO6 octahedra. There is four shorter (1.97 Å) and two longer (1.99 Å) Ti–O bond length. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent TiO6 octahedra and edges with four equivalent MnO6 octahedra. There is one shorter (1.94 Å) and five longer (1.95 Å) Mn–O bond length. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one Ti4+ and two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mn4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ti4+ and one Mn4+ atom.},
doi = {10.17188/1303626},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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