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Title: Materials Data on MgTa2O6 by Materials Project

Abstract

MgTa2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent TaO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are two shorter (2.10 Å) and four longer (2.13 Å) Mg–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with four equivalent TaO6 octahedra, an edgeedge with one MgO6 octahedra, and an edgeedge with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 44–52°. There are two shorter (1.99 Å) and four longer (2.01 Å) Ta–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Ta5+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-9650
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; MgTa2O6; Mg-O-Ta
OSTI Identifier:
1268500
DOI:
10.17188/1268500

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on MgTa2O6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1268500.
Persson, Kristin, & Project, Materials. Materials Data on MgTa2O6 by Materials Project. United States. doi:10.17188/1268500.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on MgTa2O6 by Materials Project". United States. doi:10.17188/1268500. https://www.osti.gov/servlets/purl/1268500. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1268500,
title = {Materials Data on MgTa2O6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {MgTa2O6 is Hydrophilite-derived structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with eight equivalent TaO6 octahedra and edges with two equivalent TaO6 octahedra. The corner-sharing octahedra tilt angles range from 51–52°. There are two shorter (2.10 Å) and four longer (2.13 Å) Mg–O bond lengths. Ta5+ is bonded to six O2- atoms to form TaO6 octahedra that share corners with four equivalent MgO6 octahedra, corners with four equivalent TaO6 octahedra, an edgeedge with one MgO6 octahedra, and an edgeedge with one TaO6 octahedra. The corner-sharing octahedra tilt angles range from 44–52°. There are two shorter (1.99 Å) and four longer (2.01 Å) Ta–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Ta5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mg2+ and two equivalent Ta5+ atoms.},
doi = {10.17188/1268500},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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