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Title: Materials Data on Sc2V3Ge4 by Materials Project

Abstract

Sc2V3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.69–2.88 Å. There are two inequivalent V sites. In the first V site, V is bonded to six Ge atoms to form distorted corner-sharing VGe6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of V–Ge bond distances ranging from 2.57–2.69 Å. In the second V site, V is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.49–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four V, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sc, six V, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four V, and one Ge atom. The Ge–Ge bond length is 2.66 Å.

Publication Date:
Other Number(s):
mp-21719
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; Sc2V3Ge4; Ge-Sc-V
OSTI Identifier:
1197135
DOI:
https://doi.org/10.17188/1197135

Citation Formats

The Materials Project. Materials Data on Sc2V3Ge4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1197135.
The Materials Project. Materials Data on Sc2V3Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1197135
The Materials Project. 2020. "Materials Data on Sc2V3Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1197135. https://www.osti.gov/servlets/purl/1197135. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1197135,
title = {Materials Data on Sc2V3Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Sc2V3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Sc is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Sc–Ge bond distances ranging from 2.69–2.88 Å. There are two inequivalent V sites. In the first V site, V is bonded to six Ge atoms to form distorted corner-sharing VGe6 octahedra. The corner-sharing octahedra tilt angles range from 44–55°. There are a spread of V–Ge bond distances ranging from 2.57–2.69 Å. In the second V site, V is bonded in a 6-coordinate geometry to six Ge atoms. There are a spread of V–Ge bond distances ranging from 2.49–2.64 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four V, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Sc, six V, and one Ge atom. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Sc, four V, and one Ge atom. The Ge–Ge bond length is 2.66 Å.},
doi = {10.17188/1197135},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}