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Title: Materials Data on V3PC by Materials Project

Abstract

V3CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+2.33+ sites. In the first V+2.33+ site, V+2.33+ is bonded in a 5-coordinate geometry to two equivalent C4- and three equivalent P3- atoms. Both V–C bond lengths are 2.07 Å. There are two shorter (2.43 Å) and one longer (2.55 Å) V–P bond lengths. In the second V+2.33+ site, V+2.33+ is bonded in a 2-coordinate geometry to two equivalent C4- and two equivalent P3- atoms. Both V–C bond lengths are 1.99 Å. Both V–P bond lengths are 2.36 Å. C4- is bonded to six V+2.33+ atoms to form a mixture of corner and edge-sharing CV6 octahedra. The corner-sharing octahedral tilt angles are 37°. P3- is bonded in a 8-coordinate geometry to eight V+2.33+ atoms.

Publication Date:
Other Number(s):
mp-1080573
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; V3PC; C-P-V
OSTI Identifier:
1663842
DOI:
https://doi.org/10.17188/1663842

Citation Formats

The Materials Project. Materials Data on V3PC by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1663842.
The Materials Project. Materials Data on V3PC by Materials Project. United States. doi:https://doi.org/10.17188/1663842
The Materials Project. 2020. "Materials Data on V3PC by Materials Project". United States. doi:https://doi.org/10.17188/1663842. https://www.osti.gov/servlets/purl/1663842. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1663842,
title = {Materials Data on V3PC by Materials Project},
author = {The Materials Project},
abstractNote = {V3CP crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent V+2.33+ sites. In the first V+2.33+ site, V+2.33+ is bonded in a 5-coordinate geometry to two equivalent C4- and three equivalent P3- atoms. Both V–C bond lengths are 2.07 Å. There are two shorter (2.43 Å) and one longer (2.55 Å) V–P bond lengths. In the second V+2.33+ site, V+2.33+ is bonded in a 2-coordinate geometry to two equivalent C4- and two equivalent P3- atoms. Both V–C bond lengths are 1.99 Å. Both V–P bond lengths are 2.36 Å. C4- is bonded to six V+2.33+ atoms to form a mixture of corner and edge-sharing CV6 octahedra. The corner-sharing octahedral tilt angles are 37°. P3- is bonded in a 8-coordinate geometry to eight V+2.33+ atoms.},
doi = {10.17188/1663842},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}