U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb2MgF4 by Materials Project
Abstract
Rb2MgF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.90–2.93 Å. Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.03 Å) and four longer (2.06 Å) Mg–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five equivalent Rb1+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FRb5Mg octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Mg2+ atoms.
- Publication Date:
- Other Number(s):
- mp-8861
- 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; F-Mg-Rb; Rb2MgF4; crystal structure
- OSTI Identifier:
- 1312773
- DOI:
- https://doi.org/10.17188/1312773
Citation Formats
Materials Data on Rb2MgF4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1312773.
Materials Data on Rb2MgF4 by Materials Project. United States. doi:https://doi.org/10.17188/1312773
2020.
"Materials Data on Rb2MgF4 by Materials Project". United States. doi:https://doi.org/10.17188/1312773. https://www.osti.gov/servlets/purl/1312773. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1312773,
title = {Materials Data on Rb2MgF4 by Materials Project},
abstractNote = {Rb2MgF4 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Rb–F bond distances ranging from 2.90–2.93 Å. Mg2+ is bonded to six F1- atoms to form corner-sharing MgF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (2.03 Å) and four longer (2.06 Å) Mg–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to five equivalent Rb1+ and one Mg2+ atom to form a mixture of distorted edge and corner-sharing FRb5Mg octahedra. The corner-sharing octahedra tilt angles range from 0–2°. In the second F1- site, F1- is bonded in a distorted linear geometry to four equivalent Rb1+ and two equivalent Mg2+ atoms.},
doi = {10.17188/1312773},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}