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Title: Materials Data on V(FeSe2)2 by Materials Project

Abstract

V(FeSe2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V2+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of V–Se bond distances ranging from 2.42–2.77 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.41–2.88 Å. In the second Fe3+ site, Fe3+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.33–2.43 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one V2+ and three Fe3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent V2+ and two Fe3+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to one V2+ and three Fe3+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent V2+ and two Fe3+ atoms.

Publication Date:
Other Number(s):
mp-675747
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; V(FeSe2)2; Fe-Se-V
OSTI Identifier:
1282823
DOI:
https://doi.org/10.17188/1282823

Citation Formats

The Materials Project. Materials Data on V(FeSe2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282823.
The Materials Project. Materials Data on V(FeSe2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1282823
The Materials Project. 2020. "Materials Data on V(FeSe2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1282823. https://www.osti.gov/servlets/purl/1282823. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1282823,
title = {Materials Data on V(FeSe2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {V(FeSe2)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V2+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of V–Se bond distances ranging from 2.42–2.77 Å. There are two inequivalent Fe3+ sites. In the first Fe3+ site, Fe3+ is bonded in a 6-coordinate geometry to six Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.41–2.88 Å. In the second Fe3+ site, Fe3+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Fe–Se bond distances ranging from 2.33–2.43 Å. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to one V2+ and three Fe3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent V2+ and two Fe3+ atoms. In the third Se2- site, Se2- is bonded in a 4-coordinate geometry to one V2+ and three Fe3+ atoms. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent V2+ and two Fe3+ atoms.},
doi = {10.17188/1282823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}