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Title: Materials Data on Gd3(MnC3)2 by Materials Project

Abstract

Gd3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Gd3+ is bonded in a 6-coordinate geometry to eight C+2.17- atoms. There are a spread of Gd–C bond distances ranging from 2.47–2.84 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent C+2.17- atoms to form face-sharing MnC6 octahedra. All Mn–C bond lengths are 2.10 Å. In the second Mn2+ site, Mn2+ is bonded in a trigonal planar geometry to three equivalent C+2.17- atoms. All Mn–C bond lengths are 1.82 Å. There are two inequivalent C+2.17- sites. In the first C+2.17- site, C+2.17- is bonded in a 7-coordinate geometry to four equivalent Gd3+, two equivalent Mn2+, and one C+2.17- atom. The C–C bond length is 1.37 Å. In the second C+2.17- site, C+2.17- is bonded in a 1-coordinate geometry to four equivalent Gd3+, one Mn2+, and one C+2.17- atom.

Authors:
Publication Date:
Other Number(s):
mp-28826
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; Gd3(MnC3)2; C-Gd-Mn
OSTI Identifier:
1202872
DOI:
https://doi.org/10.17188/1202872

Citation Formats

The Materials Project. Materials Data on Gd3(MnC3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1202872.
The Materials Project. Materials Data on Gd3(MnC3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1202872
The Materials Project. 2020. "Materials Data on Gd3(MnC3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1202872. https://www.osti.gov/servlets/purl/1202872. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1202872,
title = {Materials Data on Gd3(MnC3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Gd3(MnC3)2 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. Gd3+ is bonded in a 6-coordinate geometry to eight C+2.17- atoms. There are a spread of Gd–C bond distances ranging from 2.47–2.84 Å. There are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded to six equivalent C+2.17- atoms to form face-sharing MnC6 octahedra. All Mn–C bond lengths are 2.10 Å. In the second Mn2+ site, Mn2+ is bonded in a trigonal planar geometry to three equivalent C+2.17- atoms. All Mn–C bond lengths are 1.82 Å. There are two inequivalent C+2.17- sites. In the first C+2.17- site, C+2.17- is bonded in a 7-coordinate geometry to four equivalent Gd3+, two equivalent Mn2+, and one C+2.17- atom. The C–C bond length is 1.37 Å. In the second C+2.17- site, C+2.17- is bonded in a 1-coordinate geometry to four equivalent Gd3+, one Mn2+, and one C+2.17- atom.},
doi = {10.17188/1202872},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}