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Title: Materials Data on V8C7 by Materials Project

Abstract

V8C7 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six C4- atoms to form VC6 octahedra that share corners with six equivalent VC5 square pyramids, edges with three equivalent VC6 octahedra, and edges with nine equivalent VC5 square pyramids. There are three shorter (2.07 Å) and three longer (2.14 Å) V–C bond lengths. In the second V+3.50+ site, V+3.50+ is bonded to five C4- atoms to form VC5 square pyramids that share corners with two equivalent VC6 octahedra, corners with seven equivalent VC5 square pyramids, edges with three equivalent VC6 octahedra, and edges with five equivalent VC5 square pyramids. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of V–C bond distances ranging from 1.92–2.11 Å. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to six equivalent V+3.50+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the second C4- site, C4- is bonded to six V+3.50+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt anglesmore » range from 3–10°. In the third C4- site, C4- is bonded to six V+3.50+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 3–10°.« less

Publication Date:
Other Number(s):
mp-542730
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; V8C7; C-V
OSTI Identifier:
1266651
DOI:
10.17188/1266651

Citation Formats

The Materials Project. Materials Data on V8C7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1266651.
The Materials Project. Materials Data on V8C7 by Materials Project. United States. doi:10.17188/1266651.
The Materials Project. 2020. "Materials Data on V8C7 by Materials Project". United States. doi:10.17188/1266651. https://www.osti.gov/servlets/purl/1266651. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1266651,
title = {Materials Data on V8C7 by Materials Project},
author = {The Materials Project},
abstractNote = {V8C7 crystallizes in the cubic P4_332 space group. The structure is three-dimensional. there are two inequivalent V+3.50+ sites. In the first V+3.50+ site, V+3.50+ is bonded to six C4- atoms to form VC6 octahedra that share corners with six equivalent VC5 square pyramids, edges with three equivalent VC6 octahedra, and edges with nine equivalent VC5 square pyramids. There are three shorter (2.07 Å) and three longer (2.14 Å) V–C bond lengths. In the second V+3.50+ site, V+3.50+ is bonded to five C4- atoms to form VC5 square pyramids that share corners with two equivalent VC6 octahedra, corners with seven equivalent VC5 square pyramids, edges with three equivalent VC6 octahedra, and edges with five equivalent VC5 square pyramids. The corner-sharing octahedra tilt angles range from 5–7°. There are a spread of V–C bond distances ranging from 1.92–2.11 Å. There are three inequivalent C4- sites. In the first C4- site, C4- is bonded to six equivalent V+3.50+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedral tilt angles are 9°. In the second C4- site, C4- is bonded to six V+3.50+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 3–10°. In the third C4- site, C4- is bonded to six V+3.50+ atoms to form a mixture of edge and corner-sharing CV6 octahedra. The corner-sharing octahedra tilt angles range from 3–10°.},
doi = {10.17188/1266651},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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