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Title: Materials Data on Mg3Te2Pb6WO18 by Materials Project

Abstract

Mg3WPb6Te2O18 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent TeO6 octahedra and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.09 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with three equivalent WO6 octahedra, corners with three equivalent TeO6 octahedra, and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.08 Å) and three longer (2.10 Å) Mg–O bond lengths. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.96 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six PbO12 cuboctahedra, facesmore » with four MgO6 octahedra, and faces with four equivalent TeO6 octahedra. All Pb–O bond lengths are 2.86 Å. In the second Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six PbO12 cuboctahedra, a faceface with one TeO6 octahedra, faces with three equivalent WO6 octahedra, and faces with four equivalent MgO6 octahedra. There are three shorter (2.85 Å) and nine longer (2.86 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six PbO12 cuboctahedra, a faceface with one WO6 octahedra, faces with three equivalent TeO6 octahedra, and faces with four MgO6 octahedra. There are three shorter (2.85 Å) and nine longer (2.86 Å) Pb–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six MgO6 octahedra and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mg2+, four Pb2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Mg2+, one W6+, and four Pb2+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one Mg2+, four Pb2+, and one Te6+ atom.« less

Publication Date:
Other Number(s):
mp-1222251
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; Mg3Te2Pb6WO18; Mg-O-Pb-Te-W
OSTI Identifier:
1677291
DOI:
https://doi.org/10.17188/1677291

Citation Formats

The Materials Project. Materials Data on Mg3Te2Pb6WO18 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1677291.
The Materials Project. Materials Data on Mg3Te2Pb6WO18 by Materials Project. United States. doi:https://doi.org/10.17188/1677291
The Materials Project. 2020. "Materials Data on Mg3Te2Pb6WO18 by Materials Project". United States. doi:https://doi.org/10.17188/1677291. https://www.osti.gov/servlets/purl/1677291. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1677291,
title = {Materials Data on Mg3Te2Pb6WO18 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3WPb6Te2O18 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Mg2+ sites. In the first Mg2+ site, Mg2+ is bonded to six equivalent O2- atoms to form MgO6 octahedra that share corners with six equivalent TeO6 octahedra and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Mg–O bond lengths are 2.09 Å. In the second Mg2+ site, Mg2+ is bonded to six O2- atoms to form MgO6 octahedra that share corners with three equivalent WO6 octahedra, corners with three equivalent TeO6 octahedra, and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are three shorter (2.08 Å) and three longer (2.10 Å) Mg–O bond lengths. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent MgO6 octahedra and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.96 Å. There are three inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six PbO12 cuboctahedra, faces with four MgO6 octahedra, and faces with four equivalent TeO6 octahedra. All Pb–O bond lengths are 2.86 Å. In the second Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six PbO12 cuboctahedra, a faceface with one TeO6 octahedra, faces with three equivalent WO6 octahedra, and faces with four equivalent MgO6 octahedra. There are three shorter (2.85 Å) and nine longer (2.86 Å) Pb–O bond lengths. In the third Pb2+ site, Pb2+ is bonded to twelve O2- atoms to form PbO12 cuboctahedra that share corners with twelve PbO12 cuboctahedra, faces with six PbO12 cuboctahedra, a faceface with one WO6 octahedra, faces with three equivalent TeO6 octahedra, and faces with four MgO6 octahedra. There are three shorter (2.85 Å) and nine longer (2.86 Å) Pb–O bond lengths. Te6+ is bonded to six O2- atoms to form TeO6 octahedra that share corners with six MgO6 octahedra and faces with eight PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Te–O bond lengths are 1.95 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to one Mg2+, four Pb2+, and one Te6+ atom. In the second O2- site, O2- is bonded in a distorted linear geometry to one Mg2+, one W6+, and four Pb2+ atoms. In the third O2- site, O2- is bonded in a linear geometry to one Mg2+, four Pb2+, and one Te6+ atom.},
doi = {10.17188/1677291},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}