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Title: Materials Data on Pr3(NiGe)4 by Materials Project

Abstract

Pr3(NiGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight equivalent Ni and four equivalent Ge atoms to form a mixture of edge and face-sharing PrNi8Ge4 cuboctahedra. All Pr–Ni bond lengths are 3.18 Å. All Pr–Ge bond lengths are 3.19 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six Ni and eight Ge atoms. There are two shorter (3.17 Å) and four longer (3.19 Å) Pr–Ni bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.18–3.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to six Pr, one Ni, and two equivalent Ge atoms. The Ni–Ni bond length is 2.40 Å. Both Ni–Ge bond lengths are 2.40 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.40–2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Prmore » and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 3-coordinate geometry to six Pr and three Ni atoms.« less

Publication Date:
Other Number(s):
mp-10221
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; Pr3(NiGe)4; Ge-Ni-Pr
OSTI Identifier:
1186829
DOI:
https://doi.org/10.17188/1186829

Citation Formats

The Materials Project. Materials Data on Pr3(NiGe)4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1186829.
The Materials Project. Materials Data on Pr3(NiGe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1186829
The Materials Project. 2020. "Materials Data on Pr3(NiGe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1186829. https://www.osti.gov/servlets/purl/1186829. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1186829,
title = {Materials Data on Pr3(NiGe)4 by Materials Project},
author = {The Materials Project},
abstractNote = {Pr3(NiGe)4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight equivalent Ni and four equivalent Ge atoms to form a mixture of edge and face-sharing PrNi8Ge4 cuboctahedra. All Pr–Ni bond lengths are 3.18 Å. All Pr–Ge bond lengths are 3.19 Å. In the second Pr site, Pr is bonded in a 6-coordinate geometry to six Ni and eight Ge atoms. There are two shorter (3.17 Å) and four longer (3.19 Å) Pr–Ni bond lengths. There are a spread of Pr–Ge bond distances ranging from 3.18–3.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to six Pr, one Ni, and two equivalent Ge atoms. The Ni–Ni bond length is 2.40 Å. Both Ni–Ge bond lengths are 2.40 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to four equivalent Pr and five Ge atoms. There are a spread of Ni–Ge bond distances ranging from 2.40–2.43 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ni atoms. In the second Ge site, Ge is bonded in a 3-coordinate geometry to six Pr and three Ni atoms.},
doi = {10.17188/1186829},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}