U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2MnV2O7 by Materials Project
Abstract
Rb2V2MnO7 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (3.04 Å) and four longer (3.09 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.27 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with two equivalent MnO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.84 Å. Mn2+ is bonded to four equivalent O2- atoms to form MnO4 tetrahedra that share corners with four equivalent VO4 tetrahedra. All Mn–O bond lengths are 2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one V5+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one V5+ atom. In the third O2- site, O2- is bonded in a 2-coordinatemore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-19472
- 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; Rb2MnV2O7; Mn-O-Rb-V
- OSTI Identifier:
- 1194507
- DOI:
- https://doi.org/10.17188/1194507
Citation Formats
The Materials Project. Materials Data on Rb2MnV2O7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1194507.
The Materials Project. Materials Data on Rb2MnV2O7 by Materials Project. United States. doi:https://doi.org/10.17188/1194507
The Materials Project. 2020.
"Materials Data on Rb2MnV2O7 by Materials Project". United States. doi:https://doi.org/10.17188/1194507. https://www.osti.gov/servlets/purl/1194507. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1194507,
title = {Materials Data on Rb2MnV2O7 by Materials Project},
author = {The Materials Project},
abstractNote = {Rb2V2MnO7 crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (3.04 Å) and four longer (3.09 Å) Rb–O bond lengths. In the second Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Rb–O bond distances ranging from 2.83–3.27 Å. V5+ is bonded to four O2- atoms to form VO4 tetrahedra that share a cornercorner with one VO4 tetrahedra and corners with two equivalent MnO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.84 Å. Mn2+ is bonded to four equivalent O2- atoms to form MnO4 tetrahedra that share corners with four equivalent VO4 tetrahedra. All Mn–O bond lengths are 2.07 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two Rb1+, one V5+, and one Mn2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to three Rb1+ and one V5+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Rb1+ and two equivalent V5+ atoms.},
doi = {10.17188/1194507},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}