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Title: Materials Data on Tb3U(CoGe)8 by Materials Project

Abstract

UTb3(CoGe)8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All U–Co bond lengths are 3.18 Å. All U–Ge bond lengths are 3.09 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to eight Co and eight Ge atoms. There are four shorter (3.22 Å) and four longer (3.23 Å) Tb–Co bond lengths. There are four shorter (3.09 Å) and four longer (3.11 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Tb–Co bond lengths are 3.21 Å. All Tb–Ge bond lengths are 3.11 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent U, two equivalent Tb, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTb2U2Ge4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.36 Å) Co–Ge bond lengths. In the second Co site, Co is bonded to four Tb and four Ge atoms to form distorted CoTb4Ge4more » tetrahedra that share corners with twelve CoTb2U2Ge4 tetrahedra, edges with six CoTb2U2Ge4 tetrahedra, and faces with four equivalent CoTb4Ge4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.35 Å) Co–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-1217742
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; Tb3U(CoGe)8; Co-Ge-Tb-U
OSTI Identifier:
1673033
DOI:
10.17188/1673033

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Tb3U(CoGe)8 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1673033.
Persson, Kristin, & Project, Materials. Materials Data on Tb3U(CoGe)8 by Materials Project. United States. doi:10.17188/1673033.
Persson, Kristin, and Project, Materials. 2019. "Materials Data on Tb3U(CoGe)8 by Materials Project". United States. doi:10.17188/1673033. https://www.osti.gov/servlets/purl/1673033. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1673033,
title = {Materials Data on Tb3U(CoGe)8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {UTb3(CoGe)8 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All U–Co bond lengths are 3.18 Å. All U–Ge bond lengths are 3.09 Å. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded in a 8-coordinate geometry to eight Co and eight Ge atoms. There are four shorter (3.22 Å) and four longer (3.23 Å) Tb–Co bond lengths. There are four shorter (3.09 Å) and four longer (3.11 Å) Tb–Ge bond lengths. In the second Tb site, Tb is bonded in a 8-coordinate geometry to eight equivalent Co and eight equivalent Ge atoms. All Tb–Co bond lengths are 3.21 Å. All Tb–Ge bond lengths are 3.11 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to two equivalent U, two equivalent Tb, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTb2U2Ge4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.36 Å) Co–Ge bond lengths. In the second Co site, Co is bonded to four Tb and four Ge atoms to form distorted CoTb4Ge4 tetrahedra that share corners with twelve CoTb2U2Ge4 tetrahedra, edges with six CoTb2U2Ge4 tetrahedra, and faces with four equivalent CoTb4Ge4 tetrahedra. There are two shorter (2.34 Å) and two longer (2.35 Å) Co–Ge bond lengths. There are four inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.51 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.57 Å. In the third Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.59 Å. In the fourth Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Tb, four equivalent Co, and one Ge atom.},
doi = {10.17188/1673033},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}

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