Materials Data on NaMn2V3(PbO6)2 by Materials Project
Abstract
NaPb2Mn2V3O12 is Esseneite-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.58 Å) and four longer (2.75 Å) Na–O bond lengths. 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 four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There is two shorter (1.75 Å) and two longer (1.76 Å) V–O bond length. In the second V5+ site, V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–O bond lengths are 1.76 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six VO4 tetrahedra. There are two shorter (2.18 Å) and four longer (2.20 Å) Mn–O bond lengths. Pb2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.56–2.74 Å. There are three inequivalent O2- sites. In the first O2-more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-706292
- 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; NaMn2V3(PbO6)2; Mn-Na-O-Pb-V
- OSTI Identifier:
- 1286157
- DOI:
- https://doi.org/10.17188/1286157
Citation Formats
The Materials Project. Materials Data on NaMn2V3(PbO6)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1286157.
The Materials Project. Materials Data on NaMn2V3(PbO6)2 by Materials Project. United States. doi:https://doi.org/10.17188/1286157
The Materials Project. 2020.
"Materials Data on NaMn2V3(PbO6)2 by Materials Project". United States. doi:https://doi.org/10.17188/1286157. https://www.osti.gov/servlets/purl/1286157. Pub date:Mon Aug 03 00:00:00 EDT 2020
@article{osti_1286157,
title = {Materials Data on NaMn2V3(PbO6)2 by Materials Project},
author = {The Materials Project},
abstractNote = {NaPb2Mn2V3O12 is Esseneite-derived structured and crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Na1+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are four shorter (2.58 Å) and four longer (2.75 Å) Na–O bond lengths. 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 four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. There is two shorter (1.75 Å) and two longer (1.76 Å) V–O bond length. In the second V5+ site, V5+ is bonded to four equivalent O2- atoms to form VO4 tetrahedra that share corners with four equivalent MnO6 octahedra. The corner-sharing octahedral tilt angles are 45°. All V–O bond lengths are 1.76 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six VO4 tetrahedra. There are two shorter (2.18 Å) and four longer (2.20 Å) Mn–O bond lengths. Pb2+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.56–2.74 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one V5+, one Mn2+, and two equivalent Pb2+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one V5+, one Mn2+, and one Pb2+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, one V5+, one Mn2+, and one Pb2+ atom.},
doi = {10.17188/1286157},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {8}
}