Materials Data on RbReCl4 by Materials Project
Abstract
RbReCl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.32–3.64 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.74 Å. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to five Cl1- atoms to form corner-sharing ReCl5 square pyramids. There are a spread of Re–Cl bond distances ranging from 2.32–2.62 Å. In the second Re3+ site, Re3+ is bonded to five Cl1- atoms to form corner-sharing ReCl5 square pyramids. There are a spread of Re–Cl bond distances ranging from 2.34–2.61 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Rb1+ and one Re3+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Re3+ atoms. In the third Cl1- site, Cl1- is bonded to three Rb1+ and one Re3+ atom to formmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-504957
- 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; RbReCl4; Cl-Rb-Re
- OSTI Identifier:
- 1262147
- DOI:
- https://doi.org/10.17188/1262147
Citation Formats
The Materials Project. Materials Data on RbReCl4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1262147.
The Materials Project. Materials Data on RbReCl4 by Materials Project. United States. doi:https://doi.org/10.17188/1262147
The Materials Project. 2020.
"Materials Data on RbReCl4 by Materials Project". United States. doi:https://doi.org/10.17188/1262147. https://www.osti.gov/servlets/purl/1262147. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1262147,
title = {Materials Data on RbReCl4 by Materials Project},
author = {The Materials Project},
abstractNote = {RbReCl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.32–3.64 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to nine Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.33–3.74 Å. There are two inequivalent Re3+ sites. In the first Re3+ site, Re3+ is bonded to five Cl1- atoms to form corner-sharing ReCl5 square pyramids. There are a spread of Re–Cl bond distances ranging from 2.32–2.62 Å. In the second Re3+ site, Re3+ is bonded to five Cl1- atoms to form corner-sharing ReCl5 square pyramids. There are a spread of Re–Cl bond distances ranging from 2.34–2.61 Å. There are six inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to three Rb1+ and one Re3+ atom. In the second Cl1- site, Cl1- is bonded in a 2-coordinate geometry to two equivalent Re3+ atoms. In the third Cl1- site, Cl1- is bonded to three Rb1+ and one Re3+ atom to form a mixture of distorted edge and corner-sharing ClRb3Re tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a linear geometry to one Rb1+ and one Re3+ atom. In the fifth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to two Rb1+ and one Re3+ atom. In the sixth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two Re3+ atoms.},
doi = {10.17188/1262147},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}