U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CaTl3 by Materials Project
Abstract
CaTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Tl atoms to form CaTl12 cuboctahedra that share corners with twelve equivalent CaTl12 cuboctahedra, edges with twenty-four equivalent TlCa4Tl8 cuboctahedra, faces with six equivalent CaTl12 cuboctahedra, and faces with twelve equivalent TlCa4Tl8 cuboctahedra. All Ca–Tl bond lengths are 3.46 Å. Tl is bonded to four equivalent Ca and eight equivalent Tl atoms to form distorted TlCa4Tl8 cuboctahedra that share corners with twelve equivalent TlCa4Tl8 cuboctahedra, edges with eight equivalent CaTl12 cuboctahedra, edges with sixteen equivalent TlCa4Tl8 cuboctahedra, faces with four equivalent CaTl12 cuboctahedra, and faces with fourteen equivalent TlCa4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.46 Å.
- Authors:
- Publication Date:
- Other Number(s):
- mp-526
- 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; CaTl3; Ca-Tl
- OSTI Identifier:
- 1263168
- DOI:
- https://doi.org/10.17188/1263168
Citation Formats
The Materials Project. Materials Data on CaTl3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1263168.
The Materials Project. Materials Data on CaTl3 by Materials Project. United States. doi:https://doi.org/10.17188/1263168
The Materials Project. 2020.
"Materials Data on CaTl3 by Materials Project". United States. doi:https://doi.org/10.17188/1263168. https://www.osti.gov/servlets/purl/1263168. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1263168,
title = {Materials Data on CaTl3 by Materials Project},
author = {The Materials Project},
abstractNote = {CaTl3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Tl atoms to form CaTl12 cuboctahedra that share corners with twelve equivalent CaTl12 cuboctahedra, edges with twenty-four equivalent TlCa4Tl8 cuboctahedra, faces with six equivalent CaTl12 cuboctahedra, and faces with twelve equivalent TlCa4Tl8 cuboctahedra. All Ca–Tl bond lengths are 3.46 Å. Tl is bonded to four equivalent Ca and eight equivalent Tl atoms to form distorted TlCa4Tl8 cuboctahedra that share corners with twelve equivalent TlCa4Tl8 cuboctahedra, edges with eight equivalent CaTl12 cuboctahedra, edges with sixteen equivalent TlCa4Tl8 cuboctahedra, faces with four equivalent CaTl12 cuboctahedra, and faces with fourteen equivalent TlCa4Tl8 cuboctahedra. All Tl–Tl bond lengths are 3.46 Å.},
doi = {10.17188/1263168},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}