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

Title: Materials Data on Mg2Ta2Mn2O9 by Materials Project

Abstract

Mg2Ta2Mn2O9 is Ilmenite-derived structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form distorted MgO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with three equivalent TaO6 octahedra, corners with three equivalent MnO6 octahedra, edges with three equivalent TaO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are three shorter (2.08 Å) and three longer (2.23 Å) Mg–O bond lengths. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with six equivalent MnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are three shorter (1.92 Å) and three longer (2.14 Å) Ta–O bond lengths. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with six equivalent TaO6 octahedra, edges with three equivalent MnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are three shorter (2.16 Å) and three longermore » (2.27 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ta5+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ta2 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Mg2+, one Ta5+, and two equivalent Mn2+ atoms.« less

Publication Date:
Other Number(s):
mp-1210629
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; Mg2Ta2Mn2O9; Mg-Mn-O-Ta
OSTI Identifier:
1722399
DOI:
https://doi.org/10.17188/1722399

Citation Formats

The Materials Project. Materials Data on Mg2Ta2Mn2O9 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1722399.
The Materials Project. Materials Data on Mg2Ta2Mn2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1722399
The Materials Project. 2020. "Materials Data on Mg2Ta2Mn2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1722399. https://www.osti.gov/servlets/purl/1722399. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1722399,
title = {Materials Data on Mg2Ta2Mn2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Ta2Mn2O9 is Ilmenite-derived structured and crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form distorted MgO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with three equivalent TaO6 octahedra, corners with three equivalent MnO6 octahedra, edges with three equivalent TaO6 octahedra, and a faceface with one MnO6 octahedra. The corner-sharing octahedra tilt angles range from 48–66°. There are three shorter (2.08 Å) and three longer (2.23 Å) Mg–O bond lengths. Ta5+ is bonded to six O2- atoms to form distorted TaO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with six equivalent MnO6 octahedra, edges with three equivalent MgO6 octahedra, and a faceface with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are three shorter (1.92 Å) and three longer (2.14 Å) Ta–O bond lengths. Mn2+ is bonded to six equivalent O2- atoms to form MnO6 octahedra that share corners with three equivalent MgO6 octahedra, corners with six equivalent TaO6 octahedra, edges with three equivalent MnO6 octahedra, and a faceface with one MgO6 octahedra. The corner-sharing octahedra tilt angles range from 45–59°. There are three shorter (2.16 Å) and three longer (2.27 Å) Mn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mg2+ and two equivalent Ta5+ atoms to form a mixture of distorted edge and corner-sharing OMg2Ta2 trigonal pyramids. In the second O2- site, O2- is bonded in a distorted see-saw-like geometry to one Mg2+, one Ta5+, and two equivalent Mn2+ atoms.},
doi = {10.17188/1722399},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}