Materials Data on Tb3(MnC3)2 by Materials Project
Abstract
Tb3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tb+3.33+ is bonded in a 8-coordinate geometry to eight C+2.33- atoms. There are a spread of Tb–C bond distances ranging from 2.47–2.81 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent C+2.33- atoms to form face-sharing MnC6 octahedra. All Mn–C bond lengths are 2.12 Å. In the second Mn2+ site, Mn2+ is bonded in a trigonal planar geometry to three equivalent C+2.33- atoms. All Mn–C bond lengths are 1.83 Å. There are two inequivalent C+2.33- sites. In the first C+2.33- site, C+2.33- is bonded in a 7-coordinate geometry to four equivalent Tb+3.33+, two equivalent Mn2+, and one C+2.33- atom. The C–C bond length is 1.37 Å. In the second C+2.33- site, C+2.33- is bonded in a 6-coordinate geometry to four equivalent Tb+3.33+, one Mn2+, and one C+2.33- atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-28827
- 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; Tb3(MnC3)2; C-Mn-Tb
- OSTI Identifier:
- 1202873
- DOI:
- https://doi.org/10.17188/1202873
Citation Formats
The Materials Project. Materials Data on Tb3(MnC3)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202873.
The Materials Project. Materials Data on Tb3(MnC3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202873
The Materials Project. 2020.
"Materials Data on Tb3(MnC3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202873. https://www.osti.gov/servlets/purl/1202873. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202873,
title = {Materials Data on Tb3(MnC3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Tb+3.33+ is bonded in a 8-coordinate geometry to eight C+2.33- atoms. There are a spread of Tb–C bond distances ranging from 2.47–2.81 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent C+2.33- atoms to form face-sharing MnC6 octahedra. All Mn–C bond lengths are 2.12 Å. In the second Mn2+ site, Mn2+ is bonded in a trigonal planar geometry to three equivalent C+2.33- atoms. All Mn–C bond lengths are 1.83 Å. There are two inequivalent C+2.33- sites. In the first C+2.33- site, C+2.33- is bonded in a 7-coordinate geometry to four equivalent Tb+3.33+, two equivalent Mn2+, and one C+2.33- atom. The C–C bond length is 1.37 Å. In the second C+2.33- site, C+2.33- is bonded in a 6-coordinate geometry to four equivalent Tb+3.33+, one Mn2+, and one C+2.33- atom.},
doi = {10.17188/1202873},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}