U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Er2B4C by Materials Project
Abstract
Er2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 2-coordinate geometry to six equivalent B and two equivalent C atoms. There are four shorter (2.71 Å) and two longer (2.96 Å) Er–B bond lengths. Both Er–C bond lengths are 2.38 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Er and three B atoms. There is one shorter (1.76 Å) and two longer (1.86 Å) B–B bond length. In the second B site, B is bonded in a distorted single-bond geometry to two equivalent B and one C atom. The B–C bond length is 1.50 Å. C is bonded to four equivalent Er and two equivalent B atoms to form distorted edge-sharing CEr4B2 octahedra.
- Publication Date:
- Other Number(s):
- mp-1025246
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; B-C-Er; Er2B4C; crystal structure
- OSTI Identifier:
- 1355479
- DOI:
- https://doi.org/10.17188/1355479
Citation Formats
Materials Data on Er2B4C by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355479.
Materials Data on Er2B4C by Materials Project. United States. doi:https://doi.org/10.17188/1355479
2020.
"Materials Data on Er2B4C by Materials Project". United States. doi:https://doi.org/10.17188/1355479. https://www.osti.gov/servlets/purl/1355479. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1355479,
title = {Materials Data on Er2B4C by Materials Project},
abstractNote = {Er2B4C crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Er is bonded in a 2-coordinate geometry to six equivalent B and two equivalent C atoms. There are four shorter (2.71 Å) and two longer (2.96 Å) Er–B bond lengths. Both Er–C bond lengths are 2.38 Å. There are two inequivalent B sites. In the first B site, B is bonded in a 3-coordinate geometry to six equivalent Er and three B atoms. There is one shorter (1.76 Å) and two longer (1.86 Å) B–B bond length. In the second B site, B is bonded in a distorted single-bond geometry to two equivalent B and one C atom. The B–C bond length is 1.50 Å. C is bonded to four equivalent Er and two equivalent B atoms to form distorted edge-sharing CEr4B2 octahedra.},
doi = {10.17188/1355479},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}