U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on V6PbO15 by Materials Project
Abstract
V6PbO15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form distorted VO6 octahedra that share a cornercorner with one PbO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.69–2.18 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.29 Å. In the third V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.21 Å. In the fourth V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.38 Å. In the fifth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. In the sixth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.68–1.98 Å. Pb2+ is bonded tomore »
- Publication Date:
- Other Number(s):
- mp-766653
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; O-Pb-V; V6PbO15; crystal structure
- OSTI Identifier:
- 1297001
- DOI:
- https://doi.org/10.17188/1297001
Citation Formats
Materials Data on V6PbO15 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1297001.
Materials Data on V6PbO15 by Materials Project. United States. doi:https://doi.org/10.17188/1297001
2020.
"Materials Data on V6PbO15 by Materials Project". United States. doi:https://doi.org/10.17188/1297001. https://www.osti.gov/servlets/purl/1297001. Pub date:Sat May 30 04:00:00 UTC 2020
@article{osti_1297001,
title = {Materials Data on V6PbO15 by Materials Project},
abstractNote = {V6PbO15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form distorted VO6 octahedra that share a cornercorner with one PbO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.69–2.18 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.29 Å. In the third V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.21 Å. In the fourth V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.38 Å. In the fifth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. In the sixth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.68–1.98 Å. Pb2+ is bonded to seven O2- atoms to form distorted PbO7 pentagonal bipyramids that share a cornercorner with one VO6 octahedra and edges with two equivalent PbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Pb–O bond distances ranging from 2.41–2.80 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.67+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four V+4.67+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four V+4.67+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ and two equivalent Pb2+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and two equivalent Pb2+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and one Pb2+ atom. In the thirteenth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms.},
doi = {10.17188/1297001},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}