U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbCrF3 by Materials Project
Abstract
RbCrF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent CrF6 octahedra. There are a spread of Rb–F bond distances ranging from 3.00–3.12 Å. Cr2+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cr–F bond distances ranging from 2.04–2.21 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Rb1+ and two equivalent Cr2+ atoms to form a mixture of distorted face, edge, and corner-sharing FRb4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. In the second F1- site, F1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Cr2+ atoms.
- Publication Date:
- Other Number(s):
- mp-1206325
- 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; Cr-F-Rb; RbCrF3; crystal structure
- OSTI Identifier:
- 1706947
- DOI:
- https://doi.org/10.17188/1706947
Citation Formats
Materials Data on RbCrF3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1706947.
Materials Data on RbCrF3 by Materials Project. United States. doi:https://doi.org/10.17188/1706947
2020.
"Materials Data on RbCrF3 by Materials Project". United States. doi:https://doi.org/10.17188/1706947. https://www.osti.gov/servlets/purl/1706947. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1706947,
title = {Materials Data on RbCrF3 by Materials Project},
abstractNote = {RbCrF3 is (Cubic) Perovskite structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Rb1+ is bonded to twelve F1- atoms to form RbF12 cuboctahedra that share corners with twelve equivalent RbF12 cuboctahedra, faces with six equivalent RbF12 cuboctahedra, and faces with eight equivalent CrF6 octahedra. There are a spread of Rb–F bond distances ranging from 3.00–3.12 Å. Cr2+ is bonded to six F1- atoms to form CrF6 octahedra that share corners with six equivalent CrF6 octahedra and faces with eight equivalent RbF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. There are a spread of Cr–F bond distances ranging from 2.04–2.21 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Rb1+ and two equivalent Cr2+ atoms to form a mixture of distorted face, edge, and corner-sharing FRb4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 0–62°. In the second F1- site, F1- is bonded in a linear geometry to four equivalent Rb1+ and two equivalent Cr2+ atoms.},
doi = {10.17188/1706947},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}