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Title: Materials Data on TiMn3O8 by Materials Project

Abstract

TiMn3O8 is trigonal omega-derived structured and crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share edges with six equivalent MnO6 octahedra. All Ti–O bond lengths are 1.99 Å. 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. All Mn–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn4+ atoms.

Publication Date:
Other Number(s):
mp-774302
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; TiMn3O8; Mn-O-Ti
OSTI Identifier:
1302472
DOI:
10.17188/1302472

Citation Formats

The Materials Project. Materials Data on TiMn3O8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302472.
The Materials Project. Materials Data on TiMn3O8 by Materials Project. United States. doi:10.17188/1302472.
The Materials Project. 2020. "Materials Data on TiMn3O8 by Materials Project". United States. doi:10.17188/1302472. https://www.osti.gov/servlets/purl/1302472. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1302472,
title = {Materials Data on TiMn3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {TiMn3O8 is trigonal omega-derived structured and crystallizes in the cubic P4_332 space group. The structure is three-dimensional. Ti4+ is bonded to six equivalent O2- atoms to form TiO6 octahedra that share edges with six equivalent MnO6 octahedra. All Ti–O bond lengths are 1.99 Å. 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. All Mn–O bond lengths are 1.94 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Ti4+ and two equivalent Mn4+ atoms. In the second O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mn4+ atoms.},
doi = {10.17188/1302472},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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