U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Re(Se2Cl3)2 by Materials Project
Abstract
Re(Se2Cl3)2 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Re6+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Re–Cl bond distances ranging from 2.34–2.38 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a distorted rectangular see-saw-like geometry to two equivalent Se and two Cl1- atoms. There are one shorter (2.34 Å) and one longer (2.36 Å) Se–Se bond lengths. There are one shorter (3.05 Å) and one longer (3.10 Å) Se–Cl bond lengths. In the second Se site, Se is bonded in a 7-coordinate geometry to two equivalent Se and five Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 3.24–3.64 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re6+ and two Se atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re6+ and two Se atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re6+ and three equivalent Se atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-680308
- 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; Re(Se2Cl3)2; Cl-Re-Se
- OSTI Identifier:
- 1283589
- DOI:
- https://doi.org/10.17188/1283589
Citation Formats
The Materials Project. Materials Data on Re(Se2Cl3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1283589.
The Materials Project. Materials Data on Re(Se2Cl3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1283589
The Materials Project. 2020.
"Materials Data on Re(Se2Cl3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1283589. https://www.osti.gov/servlets/purl/1283589. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1283589,
title = {Materials Data on Re(Se2Cl3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Re(Se2Cl3)2 crystallizes in the orthorhombic Pccn space group. The structure is three-dimensional. Re6+ is bonded in an octahedral geometry to six Cl1- atoms. There are a spread of Re–Cl bond distances ranging from 2.34–2.38 Å. There are two inequivalent Se sites. In the first Se site, Se is bonded in a distorted rectangular see-saw-like geometry to two equivalent Se and two Cl1- atoms. There are one shorter (2.34 Å) and one longer (2.36 Å) Se–Se bond lengths. There are one shorter (3.05 Å) and one longer (3.10 Å) Se–Cl bond lengths. In the second Se site, Se is bonded in a 7-coordinate geometry to two equivalent Se and five Cl1- atoms. There are a spread of Se–Cl bond distances ranging from 3.24–3.64 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re6+ and two Se atoms. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Re6+ and two Se atoms. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Re6+ and three equivalent Se atoms.},
doi = {10.17188/1283589},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}