Materials Data on K2PrBr5 by Materials Project
Abstract
K2PrBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.39–3.65 Å. Pr3+ is bonded to seven Br1- atoms to form distorted edge-sharing PrBr7 pentagonal bipyramids. There are a spread of Pr–Br bond distances ranging from 2.97–3.06 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing BrK4Pr trigonal bipyramids. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pr3+ atoms. In the third Br1- site, Br1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing BrK4Pr trigonal bipyramids. In the fourth Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pr3+ atom.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1202407
- Report Number(s):
- mp-28276
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; K2PrBr5; Br-K-Pr
Citation Formats
The Materials Project. Materials Data on K2PrBr5 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202407.
The Materials Project. Materials Data on K2PrBr5 by Materials Project. United States. https://doi.org/10.17188/1202407
The Materials Project. 2020.
"Materials Data on K2PrBr5 by Materials Project". United States. https://doi.org/10.17188/1202407. https://www.osti.gov/servlets/purl/1202407.
@article{osti_1202407,
title = {Materials Data on K2PrBr5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2PrBr5 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of K–Br bond distances ranging from 3.39–3.65 Å. Pr3+ is bonded to seven Br1- atoms to form distorted edge-sharing PrBr7 pentagonal bipyramids. There are a spread of Pr–Br bond distances ranging from 2.97–3.06 Å. There are four inequivalent Br1- sites. In the first Br1- site, Br1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing BrK4Pr trigonal bipyramids. In the second Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent K1+ and two equivalent Pr3+ atoms. In the third Br1- site, Br1- is bonded to four equivalent K1+ and one Pr3+ atom to form a mixture of distorted face, edge, and corner-sharing BrK4Pr trigonal bipyramids. In the fourth Br1- site, Br1- is bonded in a 5-coordinate geometry to four equivalent K1+ and one Pr3+ atom.},
doi = {10.17188/1202407},
url = {https://www.osti.gov/biblio/1202407},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}