U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbSrCl3 by Materials Project
Abstract
RbSrCl3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.27–3.92 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.99 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 25–33°. There are two shorter (2.87 Å) and four longer (2.89 Å) Sr–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Rb1+ and two Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometrymore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1209174
- 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; RbSrCl3; Cl-Rb-Sr
- OSTI Identifier:
- 1676512
- DOI:
- https://doi.org/10.17188/1676512
Citation Formats
The Materials Project. Materials Data on RbSrCl3 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1676512.
The Materials Project. Materials Data on RbSrCl3 by Materials Project. United States. doi:https://doi.org/10.17188/1676512
The Materials Project. 2019.
"Materials Data on RbSrCl3 by Materials Project". United States. doi:https://doi.org/10.17188/1676512. https://www.osti.gov/servlets/purl/1676512. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1676512,
title = {Materials Data on RbSrCl3 by Materials Project},
author = {The Materials Project},
abstractNote = {RbSrCl3 is Orthorhombic Perovskite structured and crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.27–3.92 Å. In the second Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.99 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 27–33°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 25–33°. There are two shorter (2.87 Å) and four longer (2.89 Å) Sr–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three Rb1+ and two Sr2+ atoms. In the second Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two Sr2+ atoms. In the third Cl1- site, Cl1- is bonded to two Rb1+ and two equivalent Sr2+ atoms to form distorted corner-sharing ClRb2Sr2 tetrahedra. In the fourth Cl1- site, Cl1- is bonded in a 4-coordinate geometry to two Rb1+ and two equivalent Sr2+ atoms.},
doi = {10.17188/1676512},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}