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Title: Materials Data on Nd4Rh6Pb19 by Materials Project

Abstract

Nd4Rh6Pb19 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to three Rh and ten Pb atoms. There are two shorter (3.15 Å) and one longer (3.23 Å) Nd–Rh bond lengths. There are a spread of Nd–Pb bond distances ranging from 3.28–3.56 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Nd and six Pb atoms. There are a spread of Rh–Pb bond distances ranging from 2.81–2.88 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Nd and six Pb atoms. There are a spread of Rh–Pb bond distances ranging from 2.78–2.90 Å. There are seven inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Nd, two equivalent Rh, and two Pb atoms. There are one shorter (3.17 Å) and one longer (3.59 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded in a 4-coordinate geometry to two equivalent Nd, two Rh, and one Pb atom. The Pb–Pb bond length is 3.57 Å. In the third Pb site, Pbmore » is bonded in a hexagonal planar geometry to three equivalent Nd and three Rh atoms. In the fourth Pb site, Pb is bonded in an L-shaped geometry to two equivalent Nd atoms. In the fifth Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Nd, two equivalent Rh, and two Pb atoms. The Pb–Pb bond length is 3.54 Å. In the sixth Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Nd, two Rh, and two Pb atoms. There are one shorter (3.17 Å) and one longer (3.56 Å) Pb–Pb bond lengths. In the seventh Pb site, Pb is bonded in a cuboctahedral geometry to twelve Pb atoms.« less

Publication Date:
Other Number(s):
mp-1198232
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; Nd4Rh6Pb19; Nd-Pb-Rh
OSTI Identifier:
1729108
DOI:
https://doi.org/10.17188/1729108

Citation Formats

The Materials Project. Materials Data on Nd4Rh6Pb19 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1729108.
The Materials Project. Materials Data on Nd4Rh6Pb19 by Materials Project. United States. doi:https://doi.org/10.17188/1729108
The Materials Project. 2019. "Materials Data on Nd4Rh6Pb19 by Materials Project". United States. doi:https://doi.org/10.17188/1729108. https://www.osti.gov/servlets/purl/1729108. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1729108,
title = {Materials Data on Nd4Rh6Pb19 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd4Rh6Pb19 crystallizes in the tetragonal I4_1/acd space group. The structure is three-dimensional. Nd is bonded in a 4-coordinate geometry to three Rh and ten Pb atoms. There are two shorter (3.15 Å) and one longer (3.23 Å) Nd–Rh bond lengths. There are a spread of Nd–Pb bond distances ranging from 3.28–3.56 Å. There are two inequivalent Rh sites. In the first Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Nd and six Pb atoms. There are a spread of Rh–Pb bond distances ranging from 2.81–2.88 Å. In the second Rh site, Rh is bonded in a 8-coordinate geometry to two equivalent Nd and six Pb atoms. There are a spread of Rh–Pb bond distances ranging from 2.78–2.90 Å. There are seven inequivalent Pb sites. In the first Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Nd, two equivalent Rh, and two Pb atoms. There are one shorter (3.17 Å) and one longer (3.59 Å) Pb–Pb bond lengths. In the second Pb site, Pb is bonded in a 4-coordinate geometry to two equivalent Nd, two Rh, and one Pb atom. The Pb–Pb bond length is 3.57 Å. In the third Pb site, Pb is bonded in a hexagonal planar geometry to three equivalent Nd and three Rh atoms. In the fourth Pb site, Pb is bonded in an L-shaped geometry to two equivalent Nd atoms. In the fifth Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Nd, two equivalent Rh, and two Pb atoms. The Pb–Pb bond length is 3.54 Å. In the sixth Pb site, Pb is bonded in a 5-coordinate geometry to two equivalent Nd, two Rh, and two Pb atoms. There are one shorter (3.17 Å) and one longer (3.56 Å) Pb–Pb bond lengths. In the seventh Pb site, Pb is bonded in a cuboctahedral geometry to twelve Pb atoms.},
doi = {10.17188/1729108},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}