U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CsPm by Materials Project
Abstract
CsPm is Copper-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Cs sites. In the first Cs site, Cs is bonded to six equivalent Cs and six equivalent Pm atoms to form CsCs6Pm6 cuboctahedra that share corners with twelve CsCs6Pm6 cuboctahedra, edges with twelve CsCs6Pm6 cuboctahedra, edges with twelve equivalent PmCs6Pm6 cuboctahedra, faces with six equivalent CsCs6Pm6 cuboctahedra, and faces with twelve equivalent PmCs6Pm6 cuboctahedra. All Cs–Cs bond lengths are 3.89 Å. All Cs–Pm bond lengths are 4.45 Å. In the second Cs site, Cs is bonded to six equivalent Cs and six Pm atoms to form CsCs6Pm6 cuboctahedra that share corners with five equivalent PmCs6Pm10 cuboctahedra, corners with twelve CsCs6Pm6 cuboctahedra, edges with ten PmCs6Pm6 cuboctahedra, edges with twelve CsCs6Pm6 cuboctahedra, faces with six equivalent CsCs6Pm6 cuboctahedra, and faces with fifteen PmCs6Pm6 cuboctahedra. All Cs–Cs bond lengths are 3.89 Å. All Cs–Pm bond lengths are 4.45 Å. In the third Cs site, Cs is bonded to six equivalent Cs and six Pm atoms to form CsCs6Pm6 cuboctahedra that share corners with five equivalent PmCs6Pm10 cuboctahedra, corners with twelve CsCs6Pm6 cuboctahedra, edges with ten PmCs6Pm6 cuboctahedra, edges with twelve CsCs6Pm6 cuboctahedra,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1183964
- 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; CsPm; Cs-Pm
- OSTI Identifier:
- 1675850
- DOI:
- https://doi.org/10.17188/1675850
Citation Formats
The Materials Project. Materials Data on CsPm by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1675850.
The Materials Project. Materials Data on CsPm by Materials Project. United States. doi:https://doi.org/10.17188/1675850
The Materials Project. 2020.
"Materials Data on CsPm by Materials Project". United States. doi:https://doi.org/10.17188/1675850. https://www.osti.gov/servlets/purl/1675850. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1675850,
title = {Materials Data on CsPm by Materials Project},
author = {The Materials Project},
abstractNote = {CsPm is Copper-derived structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are three inequivalent Cs sites. In the first Cs site, Cs is bonded to six equivalent Cs and six equivalent Pm atoms to form CsCs6Pm6 cuboctahedra that share corners with twelve CsCs6Pm6 cuboctahedra, edges with twelve CsCs6Pm6 cuboctahedra, edges with twelve equivalent PmCs6Pm6 cuboctahedra, faces with six equivalent CsCs6Pm6 cuboctahedra, and faces with twelve equivalent PmCs6Pm6 cuboctahedra. All Cs–Cs bond lengths are 3.89 Å. All Cs–Pm bond lengths are 4.45 Å. In the second Cs site, Cs is bonded to six equivalent Cs and six Pm atoms to form CsCs6Pm6 cuboctahedra that share corners with five equivalent PmCs6Pm10 cuboctahedra, corners with twelve CsCs6Pm6 cuboctahedra, edges with ten PmCs6Pm6 cuboctahedra, edges with twelve CsCs6Pm6 cuboctahedra, faces with six equivalent CsCs6Pm6 cuboctahedra, and faces with fifteen PmCs6Pm6 cuboctahedra. All Cs–Cs bond lengths are 3.89 Å. All Cs–Pm bond lengths are 4.45 Å. In the third Cs site, Cs is bonded to six equivalent Cs and six Pm atoms to form CsCs6Pm6 cuboctahedra that share corners with five equivalent PmCs6Pm10 cuboctahedra, corners with twelve CsCs6Pm6 cuboctahedra, edges with ten PmCs6Pm6 cuboctahedra, edges with twelve CsCs6Pm6 cuboctahedra, faces with six equivalent CsCs6Pm6 cuboctahedra, and faces with fifteen PmCs6Pm6 cuboctahedra. All Cs–Cs bond lengths are 3.89 Å. All Cs–Pm bond lengths are 4.45 Å. There are two inequivalent Pm sites. In the first Pm site, Pm is bonded to six Cs and six equivalent Pm atoms to form PmCs6Pm6 cuboctahedra that share corners with twelve PmCs6Pm6 cuboctahedra, edges with twelve CsCs6Pm6 cuboctahedra, edges with twelve PmCs6Pm6 cuboctahedra, faces with six equivalent PmCs6Pm6 cuboctahedra, and faces with twelve CsCs6Pm6 cuboctahedra. All Pm–Pm bond lengths are 3.89 Å. In the second Pm site, Pm is bonded to six Cs and ten equivalent Pm atoms to form PmCs6Pm10 cuboctahedra that share corners with ten CsCs6Pm6 cuboctahedra, corners with twelve PmCs6Pm6 cuboctahedra, edges with eight CsCs6Pm6 cuboctahedra, edges with sixteen PmCs6Pm6 cuboctahedra, faces with sixteen equivalent PmCs6Pm10 cuboctahedra, and faces with eighteen CsCs6Pm6 cuboctahedra. There are a spread of Pm–Pm bond distances ranging from 3.89–7.77 Å.},
doi = {10.17188/1675850},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}