Materials Data on PrCo2B2C by Materials Project
Abstract
PrCo2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Pr–C bond lengths are 2.61 Å. Co+2.50+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with four equivalent CPr4B2 octahedra, corners with four equivalent CoB4 tetrahedra, and edges with four equivalent CoB4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. All Co–B bond lengths are 2.10 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Co+2.50+ and one C2- atom. The B–C bond length is 1.51 Å. C2- is bonded to four equivalent Pr3+ and two equivalent B3- atoms to form distorted CPr4B2 octahedra that share corners with four equivalent CPr4B2 octahedra, corners with eight equivalent CoB4 tetrahedra, and edges with four equivalent CPr4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Contributors:
-
Researcher:
- 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:
- 1189310
- Report Number(s):
- mp-12985
- 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; PrCo2B2C; B-C-Co-Pr
Citation Formats
Persson, Kristin, and Project, Materials. Materials Data on PrCo2B2C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189310.
Persson, Kristin, & Project, Materials. Materials Data on PrCo2B2C by Materials Project. United States. https://doi.org/10.17188/1189310
Persson, Kristin, and Project, Materials. Thu .
"Materials Data on PrCo2B2C by Materials Project". United States. https://doi.org/10.17188/1189310. https://www.osti.gov/servlets/purl/1189310.
@article{osti_1189310,
title = {Materials Data on PrCo2B2C by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {PrCo2B2C crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Pr3+ is bonded in a square co-planar geometry to four equivalent C2- atoms. All Pr–C bond lengths are 2.61 Å. Co+2.50+ is bonded to four equivalent B3- atoms to form CoB4 tetrahedra that share corners with four equivalent CPr4B2 octahedra, corners with four equivalent CoB4 tetrahedra, and edges with four equivalent CoB4 tetrahedra. The corner-sharing octahedral tilt angles are 61°. All Co–B bond lengths are 2.10 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Co+2.50+ and one C2- atom. The B–C bond length is 1.51 Å. C2- is bonded to four equivalent Pr3+ and two equivalent B3- atoms to form distorted CPr4B2 octahedra that share corners with four equivalent CPr4B2 octahedra, corners with eight equivalent CoB4 tetrahedra, and edges with four equivalent CPr4B2 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1189310},
url = {https://www.osti.gov/biblio/1189310},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}