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Title: Materials Data on Tm5Si3C by Materials Project

Abstract

Tm5Si3C crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Si4- atoms to form a mixture of distorted edge, corner, and face-sharing TmSi6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are four shorter (2.97 Å) and two longer (2.98 Å) Tm–Si bond lengths. In the second Tm3+ site, Tm3+ is bonded in a 2-coordinate geometry to five Si4- and two equivalent C3- atoms. There are a spread of Tm–Si bond distances ranging from 2.94–3.47 Å. Both Tm–C bond lengths are 2.43 Å. In the third Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to five Si4- and two equivalent C3- atoms. There are a spread of Tm–Si bond distances ranging from 2.93–3.47 Å. Both Tm–C bond lengths are 2.44 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Tm3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Tm3+ atoms. C3- is bonded to six Tm3+ atoms to form face-sharing CTm6 octahedra.

Publication Date:
Other Number(s):
mp-1189640
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Tm5Si3C; C-Si-Tm
OSTI Identifier:
1705620
DOI:
https://doi.org/10.17188/1705620

Citation Formats

The Materials Project. Materials Data on Tm5Si3C by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1705620.
The Materials Project. Materials Data on Tm5Si3C by Materials Project. United States. doi:https://doi.org/10.17188/1705620
The Materials Project. 2019. "Materials Data on Tm5Si3C by Materials Project". United States. doi:https://doi.org/10.17188/1705620. https://www.osti.gov/servlets/purl/1705620. Pub date:Fri Jan 11 00:00:00 EST 2019
@article{osti_1705620,
title = {Materials Data on Tm5Si3C by Materials Project},
author = {The Materials Project},
abstractNote = {Tm5Si3C crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are three inequivalent Tm3+ sites. In the first Tm3+ site, Tm3+ is bonded to six Si4- atoms to form a mixture of distorted edge, corner, and face-sharing TmSi6 octahedra. The corner-sharing octahedral tilt angles are 31°. There are four shorter (2.97 Å) and two longer (2.98 Å) Tm–Si bond lengths. In the second Tm3+ site, Tm3+ is bonded in a 2-coordinate geometry to five Si4- and two equivalent C3- atoms. There are a spread of Tm–Si bond distances ranging from 2.94–3.47 Å. Both Tm–C bond lengths are 2.43 Å. In the third Tm3+ site, Tm3+ is bonded in a 7-coordinate geometry to five Si4- and two equivalent C3- atoms. There are a spread of Tm–Si bond distances ranging from 2.93–3.47 Å. Both Tm–C bond lengths are 2.44 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Tm3+ atoms. In the second Si4- site, Si4- is bonded in a 9-coordinate geometry to nine Tm3+ atoms. C3- is bonded to six Tm3+ atoms to form face-sharing CTm6 octahedra.},
doi = {10.17188/1705620},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}