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Title: Materials Data on VIr by Materials Project

Abstract

IrV crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to one V and eight Ir atoms. The V–V bond length is 2.54 Å. There are a spread of V–Ir bond distances ranging from 2.57–2.73 Å. In the second V site, V is bonded in a 12-coordinate geometry to one V and eight Ir atoms. The V–V bond length is 2.55 Å. There are a spread of V–Ir bond distances ranging from 2.60–2.73 Å. In the third V site, V is bonded in a distorted body-centered cubic geometry to eight Ir atoms. There are a spread of V–Ir bond distances ranging from 2.54–2.60 Å. In the fourth V site, V is bonded in a 8-coordinate geometry to eight Ir atoms. There are a spread of V–Ir bond distances ranging from 2.58–2.64 Å. In the fifth V site, V is bonded to four V and eight Ir atoms to form a mixture of distorted corner and face-sharing VV4Ir8 cuboctahedra. Both V–V bond lengths are 2.78 Å. There are a spread of V–Ir bond distances ranging from 2.73–2.81 Å. There are sixmore » inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms. In the third Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms. In the fourth Ir site, Ir is bonded in a 12-coordinate geometry to eight V atoms. In the fifth Ir site, Ir is bonded in a 12-coordinate geometry to eight V atoms. In the sixth Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1178810
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; VIr; Ir-V
OSTI Identifier:
1715187
DOI:
https://doi.org/10.17188/1715187

Citation Formats

The Materials Project. Materials Data on VIr by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1715187.
The Materials Project. Materials Data on VIr by Materials Project. United States. doi:https://doi.org/10.17188/1715187
The Materials Project. 2020. "Materials Data on VIr by Materials Project". United States. doi:https://doi.org/10.17188/1715187. https://www.osti.gov/servlets/purl/1715187. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1715187,
title = {Materials Data on VIr by Materials Project},
author = {The Materials Project},
abstractNote = {IrV crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are five inequivalent V sites. In the first V site, V is bonded in a 12-coordinate geometry to one V and eight Ir atoms. The V–V bond length is 2.54 Å. There are a spread of V–Ir bond distances ranging from 2.57–2.73 Å. In the second V site, V is bonded in a 12-coordinate geometry to one V and eight Ir atoms. The V–V bond length is 2.55 Å. There are a spread of V–Ir bond distances ranging from 2.60–2.73 Å. In the third V site, V is bonded in a distorted body-centered cubic geometry to eight Ir atoms. There are a spread of V–Ir bond distances ranging from 2.54–2.60 Å. In the fourth V site, V is bonded in a 8-coordinate geometry to eight Ir atoms. There are a spread of V–Ir bond distances ranging from 2.58–2.64 Å. In the fifth V site, V is bonded to four V and eight Ir atoms to form a mixture of distorted corner and face-sharing VV4Ir8 cuboctahedra. Both V–V bond lengths are 2.78 Å. There are a spread of V–Ir bond distances ranging from 2.73–2.81 Å. There are six inequivalent Ir sites. In the first Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms. In the second Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms. In the third Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms. In the fourth Ir site, Ir is bonded in a 12-coordinate geometry to eight V atoms. In the fifth Ir site, Ir is bonded in a 12-coordinate geometry to eight V atoms. In the sixth Ir site, Ir is bonded in a 8-coordinate geometry to eight V atoms.},
doi = {10.17188/1715187},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}