U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Rb4I2O by Materials Project
Abstract
Rb4OI2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent I1- atoms. Both Rb–O bond lengths are 2.83 Å. All Rb–I bond lengths are 3.91 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to one O2- and five equivalent I1- atoms. The Rb–O bond length is 2.72 Å. There are one shorter (3.87 Å) and four longer (4.00 Å) Rb–I bond lengths. O2- is bonded to six Rb1+ atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded in a 9-coordinate geometry to nine Rb1+ atoms.
- Publication Date:
- Other Number(s):
- mp-760417
- 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; I-O-Rb; Rb4I2O; crystal structure
- OSTI Identifier:
- 1291633
- DOI:
- https://doi.org/10.17188/1291633
Citation Formats
Materials Data on Rb4I2O by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1291633.
Materials Data on Rb4I2O by Materials Project. United States. doi:https://doi.org/10.17188/1291633
2020.
"Materials Data on Rb4I2O by Materials Project". United States. doi:https://doi.org/10.17188/1291633. https://www.osti.gov/servlets/purl/1291633. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1291633,
title = {Materials Data on Rb4I2O by Materials Project},
abstractNote = {Rb4OI2 is (La,Ba)CuO4 structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted linear geometry to two equivalent O2- and four equivalent I1- atoms. Both Rb–O bond lengths are 2.83 Å. All Rb–I bond lengths are 3.91 Å. In the second Rb1+ site, Rb1+ is bonded in a distorted single-bond geometry to one O2- and five equivalent I1- atoms. The Rb–O bond length is 2.72 Å. There are one shorter (3.87 Å) and four longer (4.00 Å) Rb–I bond lengths. O2- is bonded to six Rb1+ atoms to form corner-sharing ORb6 octahedra. The corner-sharing octahedral tilt angles are 0°. I1- is bonded in a 9-coordinate geometry to nine Rb1+ atoms.},
doi = {10.17188/1291633},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}