Materials Data on MnV8O24 by Materials Project
Abstract
V8MnO24 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one V8MnO24 sheet oriented in the (0, 0, 1) direction. there are four inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.60–2.13 Å. In the second V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.62–1.84 Å. In the third V site, V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.59–2.04 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.60–2.00 Å. Mn is bonded to six O atoms to form distorted MnO6 octahedra that share corners with two equivalent VO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.71–2.37 Å. There are twelve inequivalent O sites. In the first Omore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1211891
- 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; MnV8O24; Mn-O-V
- OSTI Identifier:
- 1717055
- DOI:
- https://doi.org/10.17188/1717055
Citation Formats
The Materials Project. Materials Data on MnV8O24 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1717055.
The Materials Project. Materials Data on MnV8O24 by Materials Project. United States. doi:https://doi.org/10.17188/1717055
The Materials Project. 2019.
"Materials Data on MnV8O24 by Materials Project". United States. doi:https://doi.org/10.17188/1717055. https://www.osti.gov/servlets/purl/1717055. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1717055,
title = {Materials Data on MnV8O24 by Materials Project},
author = {The Materials Project},
abstractNote = {V8MnO24 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one V8MnO24 sheet oriented in the (0, 0, 1) direction. there are four inequivalent V sites. In the first V site, V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.60–2.13 Å. In the second V site, V is bonded to four O atoms to form VO4 tetrahedra that share a cornercorner with one MnO6 octahedra. The corner-sharing octahedral tilt angles are 1°. There are a spread of V–O bond distances ranging from 1.62–1.84 Å. In the third V site, V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.59–2.04 Å. In the fourth V site, V is bonded in a 5-coordinate geometry to five O atoms. There are a spread of V–O bond distances ranging from 1.60–2.00 Å. Mn is bonded to six O atoms to form distorted MnO6 octahedra that share corners with two equivalent VO4 tetrahedra. There are a spread of Mn–O bond distances ranging from 1.71–2.37 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one V atom. In the second O site, O is bonded in a distorted linear geometry to one V and one Mn atom. In the third O site, O is bonded in a single-bond geometry to one Mn atom. In the fourth O site, O is bonded in a distorted trigonal planar geometry to three V atoms. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to two V atoms. In the sixth O site, O is bonded in a single-bond geometry to one Mn atom. In the seventh O site, O is bonded in a single-bond geometry to one V atom. In the eighth O site, O is bonded in a distorted trigonal non-coplanar geometry to three V atoms. In the ninth O site, O is bonded in a single-bond geometry to one V atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to two V atoms. In the eleventh O site, O is bonded in a distorted trigonal planar geometry to three V atoms. In the twelfth O site, O is bonded in a bent 150 degrees geometry to two V atoms.},
doi = {10.17188/1717055},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}