U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Lu2Cr2C3 by Materials Project
Abstract
Lu2Cr2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Lu–C bond distances ranging from 2.38–2.53 Å. Cr3+ is bonded to four C4- atoms to form a mixture of edge and corner-sharing CrC4 trigonal pyramids. There are a spread of Cr–C bond distances ranging from 1.89–2.00 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Lu3+ and three equivalent Cr3+ atoms to form distorted CLu3Cr3 octahedra that share corners with six equivalent CLu4Cr2 octahedra, edges with six equivalent CLu3Cr3 octahedra, and a faceface with one CLu4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. In the second C4- site, C4- is bonded to four equivalent Lu3+ and two equivalent Cr3+ atoms to form CLu4Cr2 octahedra that share corners with twelve equivalent CLu3Cr3 octahedra, edges with two equivalent CLu4Cr2 octahedra, and faces with two equivalent CLu3Cr3 octahedra. The corner-sharing octahedra tilt angles range from 44–58°.
- Publication Date:
- Other Number(s):
- mp-1025175
- 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; C-Cr-Lu; Lu2Cr2C3; crystal structure
- OSTI Identifier:
- 1355219
- DOI:
- https://doi.org/10.17188/1355219
Citation Formats
Materials Data on Lu2Cr2C3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1355219.
Materials Data on Lu2Cr2C3 by Materials Project. United States. doi:https://doi.org/10.17188/1355219
2020.
"Materials Data on Lu2Cr2C3 by Materials Project". United States. doi:https://doi.org/10.17188/1355219. https://www.osti.gov/servlets/purl/1355219. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1355219,
title = {Materials Data on Lu2Cr2C3 by Materials Project},
abstractNote = {Lu2Cr2C3 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Lu3+ is bonded in a 5-coordinate geometry to five C4- atoms. There are a spread of Lu–C bond distances ranging from 2.38–2.53 Å. Cr3+ is bonded to four C4- atoms to form a mixture of edge and corner-sharing CrC4 trigonal pyramids. There are a spread of Cr–C bond distances ranging from 1.89–2.00 Å. There are two inequivalent C4- sites. In the first C4- site, C4- is bonded to three equivalent Lu3+ and three equivalent Cr3+ atoms to form distorted CLu3Cr3 octahedra that share corners with six equivalent CLu4Cr2 octahedra, edges with six equivalent CLu3Cr3 octahedra, and a faceface with one CLu4Cr2 octahedra. The corner-sharing octahedra tilt angles range from 44–58°. In the second C4- site, C4- is bonded to four equivalent Lu3+ and two equivalent Cr3+ atoms to form CLu4Cr2 octahedra that share corners with twelve equivalent CLu3Cr3 octahedra, edges with two equivalent CLu4Cr2 octahedra, and faces with two equivalent CLu3Cr3 octahedra. The corner-sharing octahedra tilt angles range from 44–58°.},
doi = {10.17188/1355219},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}