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Title: Materials Data on Th7Ni3 by Materials Project

Abstract

Th7Ni3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ni atoms. All Th–Ni bond lengths are 2.99 Å. In the second Th site, Th is bonded in a distorted water-like geometry to two equivalent Ni atoms. Both Th–Ni bond lengths are 2.86 Å. In the third Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ni atoms. There are two shorter (2.84 Å) and one longer (2.88 Å) Th–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Th atoms.

Publication Date:
Other Number(s):
mp-30809
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; Th7Ni3; Ni-Th
OSTI Identifier:
1205171
DOI:
10.17188/1205171

Citation Formats

The Materials Project. Materials Data on Th7Ni3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1205171.
The Materials Project. Materials Data on Th7Ni3 by Materials Project. United States. doi:10.17188/1205171.
The Materials Project. 2020. "Materials Data on Th7Ni3 by Materials Project". United States. doi:10.17188/1205171. https://www.osti.gov/servlets/purl/1205171. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1205171,
title = {Materials Data on Th7Ni3 by Materials Project},
author = {The Materials Project},
abstractNote = {Th7Ni3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ni atoms. All Th–Ni bond lengths are 2.99 Å. In the second Th site, Th is bonded in a distorted water-like geometry to two equivalent Ni atoms. Both Th–Ni bond lengths are 2.86 Å. In the third Th site, Th is bonded in a 3-coordinate geometry to three equivalent Ni atoms. There are two shorter (2.84 Å) and one longer (2.88 Å) Th–Ni bond lengths. Ni is bonded in a 6-coordinate geometry to six Th atoms.},
doi = {10.17188/1205171},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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