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Title: Materials Data on TbGe2 by Materials Project

Abstract

TbGe2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Ge atoms to form a mixture of distorted edge and face-sharing TbGe12 cuboctahedra. There are a spread of Tb–Ge bond distances ranging from 3.14–3.56 Å. In the second Tb site, Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.98–3.17 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six Tb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Tb and three Ge atoms. There are two shorter (2.51 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the fourth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four equivalent Tb and four equivalent Ge atoms. Inmore » the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Tb and three Ge atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1003
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; TbGe2; Ge-Tb
OSTI Identifier:
1185064
DOI:
10.17188/1185064

Citation Formats

Persson, Kristin. Materials Data on TbGe2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1185064.
Persson, Kristin. Materials Data on TbGe2 by Materials Project. United States. doi:10.17188/1185064.
Persson, Kristin. 2020. "Materials Data on TbGe2 by Materials Project". United States. doi:10.17188/1185064. https://www.osti.gov/servlets/purl/1185064. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1185064,
title = {Materials Data on TbGe2 by Materials Project},
author = {Persson, Kristin},
abstractNote = {TbGe2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Tb sites. In the first Tb site, Tb is bonded to twelve Ge atoms to form a mixture of distorted edge and face-sharing TbGe12 cuboctahedra. There are a spread of Tb–Ge bond distances ranging from 3.14–3.56 Å. In the second Tb site, Tb is bonded in a 10-coordinate geometry to ten Ge atoms. There are a spread of Tb–Ge bond distances ranging from 2.98–3.17 Å. There are five inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to six Tb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.58 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Tb and three Ge atoms. There are two shorter (2.51 Å) and one longer (2.53 Å) Ge–Ge bond lengths. In the third Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Tb and four equivalent Ge atoms. All Ge–Ge bond lengths are 2.88 Å. In the fourth Ge site, Ge is bonded in a distorted body-centered cubic geometry to four equivalent Tb and four equivalent Ge atoms. In the fifth Ge site, Ge is bonded in a 9-coordinate geometry to six Tb and three Ge atoms.},
doi = {10.17188/1185064},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

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