U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on RbAc3 by Materials Project
Abstract
RbAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded to twelve Ac atoms to form RbAc12 cuboctahedra that share corners with six equivalent RbAc12 cuboctahedra, corners with twelve AcRb4Ac8 cuboctahedra, edges with eighteen AcRb4Ac8 cuboctahedra, faces with eight equivalent RbAc12 cuboctahedra, and faces with twelve AcRb4Ac8 cuboctahedra. There are six shorter (4.15 Å) and six longer (4.20 Å) Rb–Ac bond lengths. There are two inequivalent Ac sites. In the first Ac site, Ac is bonded to four equivalent Rb and eight equivalent Ac atoms to form distorted AcRb4Ac8 cuboctahedra that share corners with four equivalent RbAc12 cuboctahedra, corners with fourteen equivalent AcRb4Ac8 cuboctahedra, edges with six equivalent RbAc12 cuboctahedra, edges with twelve equivalent AcRb4Ac8 cuboctahedra, faces with four equivalent RbAc12 cuboctahedra, and faces with sixteen AcRb4Ac8 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 4.01–4.38 Å. In the second Ac site, Ac is bonded to four equivalent Rb and eight equivalent Ac atoms to form distorted AcRb4Ac8 cuboctahedra that share corners with four equivalent RbAc12 cuboctahedra, corners with fourteen AcRb4Ac8 cuboctahedra, edges with six equivalent RbAc12 cuboctahedra, edges with twelve equivalent AcRb4Ac8 cuboctahedra, faces with fourmore »
- Publication Date:
- Other Number(s):
- mp-975195
- 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; Ac-Rb; RbAc3; crystal structure
- OSTI Identifier:
- 1314736
- DOI:
- https://doi.org/10.17188/1314736
Citation Formats
Materials Data on RbAc3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314736.
Materials Data on RbAc3 by Materials Project. United States. doi:https://doi.org/10.17188/1314736
2020.
"Materials Data on RbAc3 by Materials Project". United States. doi:https://doi.org/10.17188/1314736. https://www.osti.gov/servlets/purl/1314736. Pub date:Mon Jul 20 04:00:00 UTC 2020
@article{osti_1314736,
title = {Materials Data on RbAc3 by Materials Project},
abstractNote = {RbAc3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded to twelve Ac atoms to form RbAc12 cuboctahedra that share corners with six equivalent RbAc12 cuboctahedra, corners with twelve AcRb4Ac8 cuboctahedra, edges with eighteen AcRb4Ac8 cuboctahedra, faces with eight equivalent RbAc12 cuboctahedra, and faces with twelve AcRb4Ac8 cuboctahedra. There are six shorter (4.15 Å) and six longer (4.20 Å) Rb–Ac bond lengths. There are two inequivalent Ac sites. In the first Ac site, Ac is bonded to four equivalent Rb and eight equivalent Ac atoms to form distorted AcRb4Ac8 cuboctahedra that share corners with four equivalent RbAc12 cuboctahedra, corners with fourteen equivalent AcRb4Ac8 cuboctahedra, edges with six equivalent RbAc12 cuboctahedra, edges with twelve equivalent AcRb4Ac8 cuboctahedra, faces with four equivalent RbAc12 cuboctahedra, and faces with sixteen AcRb4Ac8 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 4.01–4.38 Å. In the second Ac site, Ac is bonded to four equivalent Rb and eight equivalent Ac atoms to form distorted AcRb4Ac8 cuboctahedra that share corners with four equivalent RbAc12 cuboctahedra, corners with fourteen AcRb4Ac8 cuboctahedra, edges with six equivalent RbAc12 cuboctahedra, edges with twelve equivalent AcRb4Ac8 cuboctahedra, faces with four equivalent RbAc12 cuboctahedra, and faces with sixteen AcRb4Ac8 cuboctahedra. There are a spread of Ac–Ac bond distances ranging from 4.01–4.38 Å.},
doi = {10.17188/1314736},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 04:00:00 UTC 2020},
month = {Mon Jul 20 04:00:00 UTC 2020}
}