U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Sr2Ge2Se5 by Materials Project
Abstract
Sr2Ge2Se5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.10–3.75 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.17–3.67 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.36–2.41 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.48 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ge3+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two Sr2+ and two equivalent Ge3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Sr2+ and onemore »
- Publication Date:
- Other Number(s):
- mp-18112
- 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; Ge-Se-Sr; Sr2Ge2Se5; crystal structure
- OSTI Identifier:
- 1192910
- DOI:
- https://doi.org/10.17188/1192910
Citation Formats
Materials Data on Sr2Ge2Se5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192910.
Materials Data on Sr2Ge2Se5 by Materials Project. United States. doi:https://doi.org/10.17188/1192910
2020.
"Materials Data on Sr2Ge2Se5 by Materials Project". United States. doi:https://doi.org/10.17188/1192910. https://www.osti.gov/servlets/purl/1192910. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1192910,
title = {Materials Data on Sr2Ge2Se5 by Materials Project},
abstractNote = {Sr2Ge2Se5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to eight Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.10–3.75 Å. In the second Sr2+ site, Sr2+ is bonded in a 9-coordinate geometry to nine Se2- atoms. There are a spread of Sr–Se bond distances ranging from 3.17–3.67 Å. There are two inequivalent Ge3+ sites. In the first Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.36–2.41 Å. In the second Ge3+ site, Ge3+ is bonded in a trigonal non-coplanar geometry to three Se2- atoms. There are a spread of Ge–Se bond distances ranging from 2.37–2.48 Å. There are five inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ge3+ atom. In the second Se2- site, Se2- is bonded in a 3-coordinate geometry to two Sr2+ and two equivalent Ge3+ atoms. In the third Se2- site, Se2- is bonded in a 5-coordinate geometry to four Sr2+ and one Ge3+ atom. In the fourth Se2- site, Se2- is bonded in a 4-coordinate geometry to three Sr2+ and one Ge3+ atom. In the fifth Se2- site, Se2- is bonded in a 4-coordinate geometry to four Sr2+ and one Ge3+ atom.},
doi = {10.17188/1192910},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}