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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 in a 2-coordinate geometry to eight Ni and six Ge atoms. There are two shorter (3.14 Å) and six longer (3.20 Å) Pr–Ni bond lengths. There are two shorter (3.14 Å) and four longer (3.17 Å) Pr–Ge bond lengths. In the second Pr site, Pr is bonded to four equivalent Ni and eight equivalent Ge atoms to form a mixture of face and edge-sharing PrNi4Ge8 cuboctahedra. All Pr–Ni bond lengths are 3.17 Å. All Pr–Ge bond lengths are 3.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. There are two shorter (2.41 Å) and two longer (2.44 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to six Pr and three Ge atoms. There are two shorter (2.36 Å) and one longer (2.39 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to fourmore » equivalent Pr and five Ni atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Pr, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.57 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1103090
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Pr3(NiGe)4; Ge-Ni-Pr
OSTI Identifier:
1733197
DOI:
https://doi.org/10.17188/1733197

Citation Formats

The Materials Project. Materials Data on Pr3(NiGe)4 by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1733197.
The Materials Project. Materials Data on Pr3(NiGe)4 by Materials Project. United States. doi:https://doi.org/10.17188/1733197
The Materials Project. 2018. "Materials Data on Pr3(NiGe)4 by Materials Project". United States. doi:https://doi.org/10.17188/1733197. https://www.osti.gov/servlets/purl/1733197. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1733197,
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 in a 2-coordinate geometry to eight Ni and six Ge atoms. There are two shorter (3.14 Å) and six longer (3.20 Å) Pr–Ni bond lengths. There are two shorter (3.14 Å) and four longer (3.17 Å) Pr–Ge bond lengths. In the second Pr site, Pr is bonded to four equivalent Ni and eight equivalent Ge atoms to form a mixture of face and edge-sharing PrNi4Ge8 cuboctahedra. All Pr–Ni bond lengths are 3.17 Å. All Pr–Ge bond lengths are 3.22 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 4-coordinate geometry to four equivalent Pr and four equivalent Ge atoms. There are two shorter (2.41 Å) and two longer (2.44 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to six Pr and three Ge atoms. There are two shorter (2.36 Å) and one longer (2.39 Å) Ni–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent Pr and five Ni atoms. In the second Ge site, Ge is bonded in a 2-coordinate geometry to six Pr, two equivalent Ni, and one Ge atom. The Ge–Ge bond length is 2.57 Å.},
doi = {10.17188/1733197},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}