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Title: Materials Data on MnPb(SO4)2 by Materials Project

Abstract

PbMn(SO4)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 2.19–2.28 Å. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.56–3.21 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 37–51°. There is three shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn2+, one Pb2+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Mn2+, one Pb2+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+, one Pb2+, and one S6+ atom.

Publication Date:
Other Number(s):
mp-1210715
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; MnPb(SO4)2; Mn-O-Pb-S
OSTI Identifier:
1757650
DOI:
https://doi.org/10.17188/1757650

Citation Formats

The Materials Project. Materials Data on MnPb(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1757650.
The Materials Project. Materials Data on MnPb(SO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1757650
The Materials Project. 2020. "Materials Data on MnPb(SO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1757650. https://www.osti.gov/servlets/purl/1757650. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1757650,
title = {Materials Data on MnPb(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {PbMn(SO4)2 crystallizes in the tetragonal P4_12_12 space group. The structure is three-dimensional. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 2.19–2.28 Å. Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.56–3.21 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 37–51°. There is three shorter (1.49 Å) and one longer (1.50 Å) S–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one Mn2+, one Pb2+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Mn2+, one Pb2+, and one S6+ atom. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one S6+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Mn2+, one Pb2+, and one S6+ atom.},
doi = {10.17188/1757650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}