U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbInCl3 by Materials Project
Abstract
RbInCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent InCl6 octahedra. There are a spread of Rb–Cl bond distances ranging from 3.79–3.91 Å. In2+ is bonded to six Cl1- atoms to form InCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two shorter (2.72 Å) and four longer (2.73 Å) In–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent In2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent In2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent In2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-998195
- 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; RbInCl3; Cl-In-Rb
- OSTI Identifier:
- 1317281
- DOI:
- https://doi.org/10.17188/1317281
Citation Formats
The Materials Project. Materials Data on RbInCl3 by Materials Project. United States: N. p., 2016.
Web. doi:10.17188/1317281.
The Materials Project. Materials Data on RbInCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1317281
The Materials Project. 2016.
"Materials Data on RbInCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1317281. https://www.osti.gov/servlets/purl/1317281. Pub date:Thu May 12 00:00:00 EDT 2016
@article{osti_1317281,
title = {Materials Data on RbInCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbInCl3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Rb1+ is bonded to twelve Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with eight equivalent InCl6 octahedra. There are a spread of Rb–Cl bond distances ranging from 3.79–3.91 Å. In2+ is bonded to six Cl1- atoms to form InCl6 octahedra that share corners with six equivalent InCl6 octahedra and faces with eight equivalent RbCl12 cuboctahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are two shorter (2.72 Å) and four longer (2.73 Å) In–Cl bond lengths. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent In2+ atoms. In the second Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent In2+ atoms. In the third Cl1- site, Cl1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent In2+ atoms.},
doi = {10.17188/1317281},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu May 12 00:00:00 EDT 2016},
month = {Thu May 12 00:00:00 EDT 2016}
}