Materials Data on ErNiBC by Materials Project
Abstract
ErNiBC crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded to five equivalent C2- atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. There are one shorter (2.40 Å) and four longer (2.51 Å) Er–C bond lengths. Ni2+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CEr5B octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Ni–B bond lengths are 2.10 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni2+ and one C2- atom. The B–C bond length is 1.50 Å. C2- is bonded to five equivalent Er3+ and one B3- atom to form distorted CEr5B octahedra that share corners with four equivalent CEr5B octahedra, corners with four equivalent NiB4 tetrahedra, and edges with eight equivalent CEr5B octahedra. The corner-sharing octahedral tilt angles are 4°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1078704
- 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; ErNiBC; B-C-Er-Ni
- OSTI Identifier:
- 1707107
- DOI:
- https://doi.org/10.17188/1707107
Citation Formats
The Materials Project. Materials Data on ErNiBC by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1707107.
The Materials Project. Materials Data on ErNiBC by Materials Project. United States. doi:https://doi.org/10.17188/1707107
The Materials Project. 2020.
"Materials Data on ErNiBC by Materials Project". United States. doi:https://doi.org/10.17188/1707107. https://www.osti.gov/servlets/purl/1707107. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1707107,
title = {Materials Data on ErNiBC by Materials Project},
author = {The Materials Project},
abstractNote = {ErNiBC crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Er3+ is bonded to five equivalent C2- atoms to form a mixture of edge and corner-sharing ErC5 square pyramids. There are one shorter (2.40 Å) and four longer (2.51 Å) Er–C bond lengths. Ni2+ is bonded to four equivalent B3- atoms to form NiB4 tetrahedra that share corners with four equivalent CEr5B octahedra, corners with four equivalent NiB4 tetrahedra, and edges with four equivalent NiB4 tetrahedra. The corner-sharing octahedral tilt angles are 58°. All Ni–B bond lengths are 2.10 Å. B3- is bonded in a distorted single-bond geometry to four equivalent Ni2+ and one C2- atom. The B–C bond length is 1.50 Å. C2- is bonded to five equivalent Er3+ and one B3- atom to form distorted CEr5B octahedra that share corners with four equivalent CEr5B octahedra, corners with four equivalent NiB4 tetrahedra, and edges with eight equivalent CEr5B octahedra. The corner-sharing octahedral tilt angles are 4°.},
doi = {10.17188/1707107},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}