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Title: Materials Data on MnPb2WO6 by Materials Project

Abstract

Pb2MnWO6 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–19°. There are a spread of W–O bond distances ranging from 1.86–2.15 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 5–19°. There are a spread of W–O bond distances ranging from 1.86–2.15 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 5–19°. There are a spread of Mn–O bond distances ranging from 2.16–2.44 Å. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 4–18°. There are a spread of Mn–O bond distances ranging from 2.17–2.41more » Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.44–2.58 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.44–2.59 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to one W6+, one Mn2+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one W6+ and one Mn2+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two equivalent Pb2+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one W6+ and one Mn2+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one W6+ and one Mn2+ atom. In the eighth O2- site, O2- is bonded in a linear geometry to one W6+ and one Mn2+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two equivalent Pb2+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two Pb2+ atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1194656
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; MnPb2WO6; Mn-O-Pb-W
OSTI Identifier:
1758161
DOI:
https://doi.org/10.17188/1758161

Citation Formats

The Materials Project. Materials Data on MnPb2WO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758161.
The Materials Project. Materials Data on MnPb2WO6 by Materials Project. United States. doi:https://doi.org/10.17188/1758161
The Materials Project. 2020. "Materials Data on MnPb2WO6 by Materials Project". United States. doi:https://doi.org/10.17188/1758161. https://www.osti.gov/servlets/purl/1758161. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758161,
title = {Materials Data on MnPb2WO6 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb2MnWO6 is Pb(Zr_(1-x)Ti_x)O3-derived structured and crystallizes in the orthorhombic Pmc2_1 space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 4–19°. There are a spread of W–O bond distances ranging from 1.86–2.15 Å. In the second W6+ site, W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six MnO6 octahedra. The corner-sharing octahedra tilt angles range from 5–19°. There are a spread of W–O bond distances ranging from 1.86–2.15 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six O2- atoms to form distorted MnO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 5–19°. There are a spread of Mn–O bond distances ranging from 2.16–2.44 Å. In the second Mn2+ site, Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six WO6 octahedra. The corner-sharing octahedra tilt angles range from 4–18°. There are a spread of Mn–O bond distances ranging from 2.17–2.41 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.44–2.58 Å. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.44–2.59 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted see-saw-like geometry to one W6+, one Mn2+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two Pb2+ atoms. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two equivalent Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted linear geometry to one W6+ and one Mn2+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two equivalent Pb2+ atoms. In the sixth O2- site, O2- is bonded in a distorted linear geometry to one W6+ and one Mn2+ atom. In the seventh O2- site, O2- is bonded in a distorted linear geometry to one W6+ and one Mn2+ atom. In the eighth O2- site, O2- is bonded in a linear geometry to one W6+ and one Mn2+ atom. In the ninth O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two equivalent Pb2+ atoms. In the tenth O2- site, O2- is bonded in a 4-coordinate geometry to one W6+, one Mn2+, and two Pb2+ atoms.},
doi = {10.17188/1758161},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}