U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta5GeB2 by Materials Project
Abstract
Ta5GeB2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to three equivalent B and two equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing TaGe2B3 trigonal bipyramids. There are two shorter (2.42 Å) and one longer (2.48 Å) Ta–B bond lengths. Both Ta–Ge bond lengths are 2.69 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent B and two equivalent Ge atoms. All Ta–B bond lengths are 2.50 Å. Both Ta–Ge bond lengths are 2.92 Å. B is bonded in a 9-coordinate geometry to eight Ta and one B atom. The B–B bond length is 2.15 Å. Ge is bonded in a 10-coordinate geometry to ten Ta atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1105309
- 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; Ta5GeB2; B-Ge-Ta
- OSTI Identifier:
- 1685305
- DOI:
- https://doi.org/10.17188/1685305
Citation Formats
The Materials Project. Materials Data on Ta5GeB2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1685305.
The Materials Project. Materials Data on Ta5GeB2 by Materials Project. United States. doi:https://doi.org/10.17188/1685305
The Materials Project. 2020.
"Materials Data on Ta5GeB2 by Materials Project". United States. doi:https://doi.org/10.17188/1685305. https://www.osti.gov/servlets/purl/1685305. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1685305,
title = {Materials Data on Ta5GeB2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ta5GeB2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to three equivalent B and two equivalent Ge atoms to form a mixture of distorted edge, face, and corner-sharing TaGe2B3 trigonal bipyramids. There are two shorter (2.42 Å) and one longer (2.48 Å) Ta–B bond lengths. Both Ta–Ge bond lengths are 2.69 Å. In the second Ta site, Ta is bonded in a 4-coordinate geometry to four equivalent B and two equivalent Ge atoms. All Ta–B bond lengths are 2.50 Å. Both Ta–Ge bond lengths are 2.92 Å. B is bonded in a 9-coordinate geometry to eight Ta and one B atom. The B–B bond length is 2.15 Å. Ge is bonded in a 10-coordinate geometry to ten Ta atoms.},
doi = {10.17188/1685305},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}