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Title: Materials Data on V6C5 by Materials Project

Abstract

V6C5 crystallizes in the trigonal P3_112 space group. The structure is three-dimensional. there are three inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing VC5 square pyramids. There are a spread of V–C bond distances ranging from 1.97–2.13 Å. In the second V+3.33+ site, V+3.33+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing VC5 square pyramids. There are a spread of V–C bond distances ranging from 1.98–2.13 Å. In the third V+3.33+ site, V+3.33+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing VC5 square pyramids. There are a spread of V–C bond distances ranging from 1.92–2.09 Å. There are five inequivalent C4- sites. In the first C4- site, C4- is bonded to six V+3.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 8–9°. In the second C4- site, C4- is bonded to six V+3.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the third C4- site, C4- is bonded to six V+3.33+ atomsmore » to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 8–9°. In the fourth C4- site, C4- is bonded to six V+3.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 7–9°. In the fifth C4- site, C4- is bonded to six V+3.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 7–9°.« less

Publication Date:
Other Number(s):
mp-28731
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; V6C5; C-V
OSTI Identifier:
1202797
DOI:
10.17188/1202797

Citation Formats

The Materials Project. Materials Data on V6C5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202797.
The Materials Project. Materials Data on V6C5 by Materials Project. United States. doi:10.17188/1202797.
The Materials Project. 2020. "Materials Data on V6C5 by Materials Project". United States. doi:10.17188/1202797. https://www.osti.gov/servlets/purl/1202797. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1202797,
title = {Materials Data on V6C5 by Materials Project},
author = {The Materials Project},
abstractNote = {V6C5 crystallizes in the trigonal P3_112 space group. The structure is three-dimensional. there are three inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing VC5 square pyramids. There are a spread of V–C bond distances ranging from 1.97–2.13 Å. In the second V+3.33+ site, V+3.33+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing VC5 square pyramids. There are a spread of V–C bond distances ranging from 1.98–2.13 Å. In the third V+3.33+ site, V+3.33+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing VC5 square pyramids. There are a spread of V–C bond distances ranging from 1.92–2.09 Å. There are five inequivalent C4- sites. In the first C4- site, C4- is bonded to six V+3.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 8–9°. In the second C4- site, C4- is bonded to six V+3.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedral tilt angles are 7°. In the third C4- site, C4- is bonded to six V+3.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 8–9°. In the fourth C4- site, C4- is bonded to six V+3.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 7–9°. In the fifth C4- site, C4- is bonded to six V+3.33+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 7–9°.},
doi = {10.17188/1202797},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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