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Title: Materials Data on Tb5Si3O13 by Materials Project

Abstract

Tb5Si3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Tb–O bond distances ranging from 2.22–2.78 Å. In the second Tb site, Tb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.85 Å. Si is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.63 Å) and three longer (1.65 Å) Si–O bond length. There are four inequivalent O sites. In the first O site, O is bonded to three Tb and one Si atom to form distorted edge-sharing OTb3Si tetrahedra. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Tb atoms. In the third O site, O is bonded in a 1-coordinate geometry to three Tb and one Si atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three Tb and one Si atom.

Publication Date:
Other Number(s):
mp-1208437
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; Tb5Si3O13; O-Si-Tb
OSTI Identifier:
1685850
DOI:
https://doi.org/10.17188/1685850

Citation Formats

The Materials Project. Materials Data on Tb5Si3O13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1685850.
The Materials Project. Materials Data on Tb5Si3O13 by Materials Project. United States. doi:https://doi.org/10.17188/1685850
The Materials Project. 2020. "Materials Data on Tb5Si3O13 by Materials Project". United States. doi:https://doi.org/10.17188/1685850. https://www.osti.gov/servlets/purl/1685850. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1685850,
title = {Materials Data on Tb5Si3O13 by Materials Project},
author = {The Materials Project},
abstractNote = {Tb5Si3O13 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Tb–O bond distances ranging from 2.22–2.78 Å. In the second Tb site, Tb is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Tb–O bond distances ranging from 2.34–2.85 Å. Si is bonded in a tetrahedral geometry to four O atoms. There is one shorter (1.63 Å) and three longer (1.65 Å) Si–O bond length. There are four inequivalent O sites. In the first O site, O is bonded to three Tb and one Si atom to form distorted edge-sharing OTb3Si tetrahedra. In the second O site, O is bonded in a trigonal planar geometry to three equivalent Tb atoms. In the third O site, O is bonded in a 1-coordinate geometry to three Tb and one Si atom. In the fourth O site, O is bonded in a 1-coordinate geometry to three Tb and one Si atom.},
doi = {10.17188/1685850},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}