U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ba2Ge2Te5 by Materials Project
Abstract
Ba2Ge2Te5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.54–3.89 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.58–4.05 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a distorted trigonal non-coplanar geometry to three Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.64–2.67 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.62–2.65 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ge3+ atom. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three Ba2+ and one Ge3+ atom. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ andmore »
- Publication Date:
- Other Number(s):
- mp-17885
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ba-Ge-Te; Ba2Ge2Te5; crystal structure
- OSTI Identifier:
- 1192750
- DOI:
- https://doi.org/10.17188/1192750
Citation Formats
Materials Data on Ba2Ge2Te5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192750.
Materials Data on Ba2Ge2Te5 by Materials Project. United States. doi:https://doi.org/10.17188/1192750
2020.
"Materials Data on Ba2Ge2Te5 by Materials Project". United States. doi:https://doi.org/10.17188/1192750. https://www.osti.gov/servlets/purl/1192750. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1192750,
title = {Materials Data on Ba2Ge2Te5 by Materials Project},
abstractNote = {Ba2Ge2Te5 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent Ba2+ sites. In the first Ba2+ site, Ba2+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.54–3.89 Å. In the second Ba2+ site, Ba2+ is bonded in a 9-coordinate geometry to nine Te2- atoms. There are a spread of Ba–Te bond distances ranging from 3.58–4.05 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a distorted trigonal non-coplanar geometry to three Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.64–2.67 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Te2- atoms. There are a spread of Ge–Te bond distances ranging from 2.62–2.65 Å. There are five inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ge3+ atom. In the second Te2- site, Te2- is bonded in a 4-coordinate geometry to three Ba2+ and one Ge3+ atom. In the third Te2- site, Te2- is bonded in a 3-coordinate geometry to two equivalent Ba2+ and two Ge3+ atoms. In the fourth Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ge3+ atom. In the fifth Te2- site, Te2- is bonded in a 5-coordinate geometry to four Ba2+ and one Ge3+ atom.},
doi = {10.17188/1192750},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}