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Title: Materials Data on MnAlB2(PbO4)2 by Materials Project

Abstract

MnAlB2(PbO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent AlO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.26 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share edges with two equivalent MnO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–2.01 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn3+, one Al3+, and one B3+ atom. In the second O2- site, O2- is bonded to one Mn3+, one Al3+, and two equivalent Pb2+ atoms to form distorted corner-sharing OMnAlPb2 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mn3+, one B3+, and one Pb2+ atom. In the fourth O2- site, O2- ismore » bonded in a 2-coordinate geometry to one Al3+, one B3+, and one Pb2+ atom.« less

Publication Date:
Other Number(s):
mp-1221830
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; MnAlB2(PbO4)2; Al-B-Mn-O-Pb
OSTI Identifier:
1752895
DOI:
https://doi.org/10.17188/1752895

Citation Formats

The Materials Project. Materials Data on MnAlB2(PbO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1752895.
The Materials Project. Materials Data on MnAlB2(PbO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1752895
The Materials Project. 2020. "Materials Data on MnAlB2(PbO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1752895. https://www.osti.gov/servlets/purl/1752895. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1752895,
title = {Materials Data on MnAlB2(PbO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {MnAlB2(PbO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Mn3+ is bonded to six O2- atoms to form MnO6 octahedra that share edges with two equivalent AlO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.91–2.26 Å. Al3+ is bonded to six O2- atoms to form AlO6 octahedra that share edges with two equivalent MnO6 octahedra. There are a spread of Al–O bond distances ranging from 1.86–2.01 Å. B3+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of B–O bond distances ranging from 1.38–1.40 Å. Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Pb–O bond distances ranging from 2.37–2.42 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Mn3+, one Al3+, and one B3+ atom. In the second O2- site, O2- is bonded to one Mn3+, one Al3+, and two equivalent Pb2+ atoms to form distorted corner-sharing OMnAlPb2 tetrahedra. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Mn3+, one B3+, and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to one Al3+, one B3+, and one Pb2+ atom.},
doi = {10.17188/1752895},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}