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Title: Materials Data on MnV2Pb2O9 by Materials Project

Abstract

V2MnPb2O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of V–O bond distances ranging from 1.66–1.87 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of V–O bond distances ranging from 1.68–1.80 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four VO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.97 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–3.25 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances rangingmore » from 2.43–2.87 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Mn4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+, one Mn4+, and two Pb2+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn4+ and one Pb2+ atom.« less

Publication Date:
Other Number(s):
mp-1192942
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; MnV2Pb2O9; Mn-O-Pb-V
OSTI Identifier:
1707284
DOI:
https://doi.org/10.17188/1707284

Citation Formats

The Materials Project. Materials Data on MnV2Pb2O9 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707284.
The Materials Project. Materials Data on MnV2Pb2O9 by Materials Project. United States. doi:https://doi.org/10.17188/1707284
The Materials Project. 2019. "Materials Data on MnV2Pb2O9 by Materials Project". United States. doi:https://doi.org/10.17188/1707284. https://www.osti.gov/servlets/purl/1707284. Pub date:Sat Nov 16 00:00:00 EST 2019
@article{osti_1707284,
title = {Materials Data on MnV2Pb2O9 by Materials Project},
author = {The Materials Project},
abstractNote = {V2MnPb2O9 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 49°. There are a spread of V–O bond distances ranging from 1.66–1.87 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with two equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 60°. There are a spread of V–O bond distances ranging from 1.68–1.80 Å. Mn4+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with four VO4 tetrahedra and edges with two equivalent MnO6 octahedra. There are a spread of Mn–O bond distances ranging from 1.92–1.97 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of Pb–O bond distances ranging from 2.41–3.25 Å. In the second Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.43–2.87 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one V5+ and two equivalent Mn4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Pb2+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one V5+, one Mn4+, and two Pb2+ atoms. In the sixth O2- site, O2- is bonded in a single-bond geometry to one V5+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mn4+ and one Pb2+ atom.},
doi = {10.17188/1707284},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {11}
}