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 »
- Authors:
- Publication Date:
- Other Number(s):
- mp-975195
- 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; RbAc3; Ac-Rb
- OSTI Identifier:
- 1314736
- DOI:
- https://doi.org/10.17188/1314736
Citation Formats
The Materials Project. Materials Data on RbAc3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314736.
The Materials Project. Materials Data on RbAc3 by Materials Project. United States. doi:https://doi.org/10.17188/1314736
The Materials Project. 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 00:00:00 EDT 2020
@article{osti_1314736,
title = {Materials Data on RbAc3 by Materials Project},
author = {The 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 = {2020},
month = {7}
}