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Title: Materials Data on Tm2NiAs2 by Materials Project

Abstract

Tm2NiAs2 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 3.10 Å. There are three shorter (2.88 Å) and three longer (2.95 Å) Tm–As bond lengths. In the second Tm site, Tm is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 2.87 Å. There are three shorter (2.85 Å) and three longer (3.02 Å) Tm–As bond lengths. Ni is bonded in a 3-coordinate geometry to six Tm and three equivalent As atoms. All Ni–As bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As is bonded to six Tm atoms to form edge-sharing AsTm6 octahedra. In the second As site, As is bonded in a 9-coordinate geometry to six Tm and three equivalent Ni atoms.

Publication Date:
Other Number(s):
mp-568266
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; Tm2NiAs2; As-Ni-Tm
OSTI Identifier:
1274335
DOI:
10.17188/1274335

Citation Formats

The Materials Project. Materials Data on Tm2NiAs2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1274335.
The Materials Project. Materials Data on Tm2NiAs2 by Materials Project. United States. doi:10.17188/1274335.
The Materials Project. 2020. "Materials Data on Tm2NiAs2 by Materials Project". United States. doi:10.17188/1274335. https://www.osti.gov/servlets/purl/1274335. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1274335,
title = {Materials Data on Tm2NiAs2 by Materials Project},
author = {The Materials Project},
abstractNote = {Tm2NiAs2 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are two inequivalent Tm sites. In the first Tm site, Tm is bonded in a 6-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 3.10 Å. There are three shorter (2.88 Å) and three longer (2.95 Å) Tm–As bond lengths. In the second Tm site, Tm is bonded in a 9-coordinate geometry to three equivalent Ni and six As atoms. All Tm–Ni bond lengths are 2.87 Å. There are three shorter (2.85 Å) and three longer (3.02 Å) Tm–As bond lengths. Ni is bonded in a 3-coordinate geometry to six Tm and three equivalent As atoms. All Ni–As bond lengths are 2.37 Å. There are two inequivalent As sites. In the first As site, As is bonded to six Tm atoms to form edge-sharing AsTm6 octahedra. In the second As site, As is bonded in a 9-coordinate geometry to six Tm and three equivalent Ni atoms.},
doi = {10.17188/1274335},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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