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Title: Materials Data on Eu8Ni18P11 by Materials Project

Abstract

Eu8Ni18P11 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to ten Ni and six P atoms. There are a spread of Eu–Ni bond distances ranging from 2.96–3.15 Å. There are two shorter (3.01 Å) and four longer (3.03 Å) Eu–P bond lengths. In the second Eu site, Eu is bonded in a 10-coordinate geometry to eight Ni and six P atoms. There are four shorter (3.03 Å) and four longer (3.14 Å) Eu–Ni bond lengths. There are two shorter (3.02 Å) and four longer (3.03 Å) Eu–P bond lengths. In the third Eu site, Eu is bonded in a 12-coordinate geometry to twelve Ni and four equivalent P atoms. There are a spread of Eu–Ni bond distances ranging from 2.97–3.15 Å. All Eu–P bond lengths are 3.08 Å. In the fourth Eu site, Eu is bonded in a 10-coordinate geometry to eight Ni and six P atoms. There are a spread of Eu–Ni bond distances ranging from 2.99–3.15 Å. There are a spread of Eu–P bond distances ranging from 3.00–3.04 Å. In the fifth Eu site, Eu is bondedmore » to six equivalent Ni and six equivalent P atoms to form face-sharing EuNi6P6 cuboctahedra. All Eu–Ni bond lengths are 3.05 Å. All Eu–P bond lengths are 3.03 Å. There are nine inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to six Eu and three P atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to six Eu and three P atoms. There are one shorter (2.30 Å) and two longer (2.31 Å) Ni–P bond lengths. In the third Ni site, Ni is bonded in a 3-coordinate geometry to three Eu, one Ni, and three P atoms. The Ni–Ni bond length is 2.55 Å. There are one shorter (2.23 Å) and two longer (2.37 Å) Ni–P bond lengths. In the fourth Ni site, Ni is bonded in a distorted single-bond geometry to two equivalent Eu, four equivalent Ni, and one P atom. All Ni–Ni bond lengths are 2.48 Å. The Ni–P bond length is 2.16 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Eu and eight Ni atoms. Both Ni–Ni bond lengths are 2.37 Å. In the sixth Ni site, Ni is bonded in a distorted trigonal planar geometry to six Eu and three P atoms. There are two shorter (2.27 Å) and one longer (2.31 Å) Ni–P bond lengths. In the seventh Ni site, Ni is bonded to four Eu and four P atoms to form a mixture of distorted face, edge, and corner-sharing NiEu4P4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.32–2.36 Å. In the eighth Ni site, Ni is bonded to four Eu and four P atoms to form a mixture of distorted face, edge, and corner-sharing NiEu4P4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.36 Å) Ni–P bond lengths. In the ninth Ni site, Ni is bonded to four Eu and four P atoms to form a mixture of distorted face and edge-sharing NiEu4P4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.33 Å) Ni–P bond lengths. There are six inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Eu and five Ni atoms. In the second P site, P is bonded in a 3-coordinate geometry to six Eu and three Ni atoms. In the third P site, P is bonded in a 3-coordinate geometry to six equivalent Eu and three equivalent Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to four equivalent Eu and five Ni atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to four Eu and five Ni atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to two equivalent Eu and seven Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1213676
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; Eu8Ni18P11; Eu-Ni-P
OSTI Identifier:
1672929
DOI:
https://doi.org/10.17188/1672929

Citation Formats

The Materials Project. Materials Data on Eu8Ni18P11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672929.
The Materials Project. Materials Data on Eu8Ni18P11 by Materials Project. United States. doi:https://doi.org/10.17188/1672929
The Materials Project. 2020. "Materials Data on Eu8Ni18P11 by Materials Project". United States. doi:https://doi.org/10.17188/1672929. https://www.osti.gov/servlets/purl/1672929. Pub date:Fri Jun 05 00:00:00 EDT 2020
@article{osti_1672929,
title = {Materials Data on Eu8Ni18P11 by Materials Project},
author = {The Materials Project},
abstractNote = {Eu8Ni18P11 crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are five inequivalent Eu sites. In the first Eu site, Eu is bonded in a 12-coordinate geometry to ten Ni and six P atoms. There are a spread of Eu–Ni bond distances ranging from 2.96–3.15 Å. There are two shorter (3.01 Å) and four longer (3.03 Å) Eu–P bond lengths. In the second Eu site, Eu is bonded in a 10-coordinate geometry to eight Ni and six P atoms. There are four shorter (3.03 Å) and four longer (3.14 Å) Eu–Ni bond lengths. There are two shorter (3.02 Å) and four longer (3.03 Å) Eu–P bond lengths. In the third Eu site, Eu is bonded in a 12-coordinate geometry to twelve Ni and four equivalent P atoms. There are a spread of Eu–Ni bond distances ranging from 2.97–3.15 Å. All Eu–P bond lengths are 3.08 Å. In the fourth Eu site, Eu is bonded in a 10-coordinate geometry to eight Ni and six P atoms. There are a spread of Eu–Ni bond distances ranging from 2.99–3.15 Å. There are a spread of Eu–P bond distances ranging from 3.00–3.04 Å. In the fifth Eu site, Eu is bonded to six equivalent Ni and six equivalent P atoms to form face-sharing EuNi6P6 cuboctahedra. All Eu–Ni bond lengths are 3.05 Å. All Eu–P bond lengths are 3.03 Å. There are nine inequivalent Ni sites. In the first Ni site, Ni is bonded in a 3-coordinate geometry to six Eu and three P atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a 3-coordinate geometry to six Eu and three P atoms. There are one shorter (2.30 Å) and two longer (2.31 Å) Ni–P bond lengths. In the third Ni site, Ni is bonded in a 3-coordinate geometry to three Eu, one Ni, and three P atoms. The Ni–Ni bond length is 2.55 Å. There are one shorter (2.23 Å) and two longer (2.37 Å) Ni–P bond lengths. In the fourth Ni site, Ni is bonded in a distorted single-bond geometry to two equivalent Eu, four equivalent Ni, and one P atom. All Ni–Ni bond lengths are 2.48 Å. The Ni–P bond length is 2.16 Å. In the fifth Ni site, Ni is bonded in a 10-coordinate geometry to two equivalent Eu and eight Ni atoms. Both Ni–Ni bond lengths are 2.37 Å. In the sixth Ni site, Ni is bonded in a distorted trigonal planar geometry to six Eu and three P atoms. There are two shorter (2.27 Å) and one longer (2.31 Å) Ni–P bond lengths. In the seventh Ni site, Ni is bonded to four Eu and four P atoms to form a mixture of distorted face, edge, and corner-sharing NiEu4P4 tetrahedra. There are a spread of Ni–P bond distances ranging from 2.32–2.36 Å. In the eighth Ni site, Ni is bonded to four Eu and four P atoms to form a mixture of distorted face, edge, and corner-sharing NiEu4P4 tetrahedra. There are three shorter (2.34 Å) and one longer (2.36 Å) Ni–P bond lengths. In the ninth Ni site, Ni is bonded to four Eu and four P atoms to form a mixture of distorted face and edge-sharing NiEu4P4 tetrahedra. There are two shorter (2.31 Å) and two longer (2.33 Å) Ni–P bond lengths. There are six inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to four Eu and five Ni atoms. In the second P site, P is bonded in a 3-coordinate geometry to six Eu and three Ni atoms. In the third P site, P is bonded in a 3-coordinate geometry to six equivalent Eu and three equivalent Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to four equivalent Eu and five Ni atoms. In the fifth P site, P is bonded in a 9-coordinate geometry to four Eu and five Ni atoms. In the sixth P site, P is bonded in a 9-coordinate geometry to two equivalent Eu and seven Ni atoms.},
doi = {10.17188/1672929},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}