Materials Data on Zr2V3Ge4 by Materials Project
Abstract
Zr2V3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.73–2.87 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 45–53°. There are a spread of V–Ge bond distances ranging from 2.57–2.68 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 2.49–2.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Zr, six V, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Zr, four V, and one Ge atom. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four V atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1202025
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Zr2V3Ge4; Ge-V-Zr
- OSTI Identifier:
- 1681476
- DOI:
- https://doi.org/10.17188/1681476
Citation Formats
The Materials Project. Materials Data on Zr2V3Ge4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1681476.
The Materials Project. Materials Data on Zr2V3Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1681476
The Materials Project. 2020.
"Materials Data on Zr2V3Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1681476. https://www.osti.gov/servlets/purl/1681476. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1681476,
title = {Materials Data on Zr2V3Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Zr2V3Ge4 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Zr is bonded in a 7-coordinate geometry to seven Ge atoms. There are a spread of Zr–Ge bond distances ranging from 2.73–2.87 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 45–53°. There are a spread of V–Ge bond distances ranging from 2.57–2.68 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 2.49–2.62 Å. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to two equivalent Zr, six V, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Zr, four V, and one Ge atom. In the third Ge site, Ge is bonded in a 8-coordinate geometry to four equivalent Zr and four V atoms.},
doi = {10.17188/1681476},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}