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Title: Materials Data on Ce(Ni5P2)2 by Materials Project

Abstract

Ce(Ni5P2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to ten Ni and seven P atoms. There are a spread of Ce–Ni bond distances ranging from 3.17–3.29 Å. There are a spread of Ce–P bond distances ranging from 2.97–3.15 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 120 degrees geometry to two equivalent Ce and two P atoms. There are one shorter (2.23 Å) and one longer (2.26 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a distorted water-like geometry to one Ce and two equivalent P atoms. Both Ni–P bond lengths are 2.22 Å. In the third Ni site, Ni is bonded in a distorted trigonal non-coplanar geometry to three P atoms. There are one shorter (2.16 Å) and two longer (2.28 Å) Ni–P bond lengths. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.25–2.62 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to three P atoms. There are onemore » shorter (2.17 Å) and two longer (2.32 Å) Ni–P bond lengths. In the sixth Ni site, Ni is bonded in a distorted trigonal planar geometry to two equivalent Ce and three P atoms. There are one shorter (2.21 Å) and two longer (2.22 Å) Ni–P bond lengths. In the seventh Ni site, Ni is bonded in a distorted trigonal planar geometry to two equivalent Ce and three P atoms. There are one shorter (2.23 Å) and two longer (2.29 Å) Ni–P bond lengths. In the eighth Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Ce and four P atoms. There are a spread of Ni–P bond distances ranging from 2.20–2.44 Å. In the ninth Ni site, Ni is bonded in a 3-coordinate geometry to three P atoms. There are one shorter (2.20 Å) and two longer (2.31 Å) Ni–P bond lengths. In the tenth Ni site, Ni is bonded in a distorted water-like geometry to one Ce and two equivalent P atoms. Both Ni–P bond lengths are 2.26 Å. There are four inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ce and seven Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to one Ce and eight Ni atoms. In the third P site, P is bonded in a 7-coordinate geometry to two equivalent Ce and seven Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to two equivalent Ce and seven Ni atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-582274
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; Ce(Ni5P2)2; Ce-Ni-P
OSTI Identifier:
1276964
DOI:
https://doi.org/10.17188/1276964

Citation Formats

The Materials Project. Materials Data on Ce(Ni5P2)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1276964.
The Materials Project. Materials Data on Ce(Ni5P2)2 by Materials Project. United States. doi:https://doi.org/10.17188/1276964
The Materials Project. 2020. "Materials Data on Ce(Ni5P2)2 by Materials Project". United States. doi:https://doi.org/10.17188/1276964. https://www.osti.gov/servlets/purl/1276964. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1276964,
title = {Materials Data on Ce(Ni5P2)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ce(Ni5P2)2 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ce is bonded in a 7-coordinate geometry to ten Ni and seven P atoms. There are a spread of Ce–Ni bond distances ranging from 3.17–3.29 Å. There are a spread of Ce–P bond distances ranging from 2.97–3.15 Å. There are ten inequivalent Ni sites. In the first Ni site, Ni is bonded in a distorted bent 120 degrees geometry to two equivalent Ce and two P atoms. There are one shorter (2.23 Å) and one longer (2.26 Å) Ni–P bond lengths. In the second Ni site, Ni is bonded in a distorted water-like geometry to one Ce and two equivalent P atoms. Both Ni–P bond lengths are 2.22 Å. In the third Ni site, Ni is bonded in a distorted trigonal non-coplanar geometry to three P atoms. There are one shorter (2.16 Å) and two longer (2.28 Å) Ni–P bond lengths. In the fourth Ni site, Ni is bonded in a 2-coordinate geometry to four P atoms. There are a spread of Ni–P bond distances ranging from 2.25–2.62 Å. In the fifth Ni site, Ni is bonded in a 3-coordinate geometry to three P atoms. There are one shorter (2.17 Å) and two longer (2.32 Å) Ni–P bond lengths. In the sixth Ni site, Ni is bonded in a distorted trigonal planar geometry to two equivalent Ce and three P atoms. There are one shorter (2.21 Å) and two longer (2.22 Å) Ni–P bond lengths. In the seventh Ni site, Ni is bonded in a distorted trigonal planar geometry to two equivalent Ce and three P atoms. There are one shorter (2.23 Å) and two longer (2.29 Å) Ni–P bond lengths. In the eighth Ni site, Ni is bonded in a 4-coordinate geometry to two equivalent Ce and four P atoms. There are a spread of Ni–P bond distances ranging from 2.20–2.44 Å. In the ninth Ni site, Ni is bonded in a 3-coordinate geometry to three P atoms. There are one shorter (2.20 Å) and two longer (2.31 Å) Ni–P bond lengths. In the tenth Ni site, Ni is bonded in a distorted water-like geometry to one Ce and two equivalent P atoms. Both Ni–P bond lengths are 2.26 Å. There are four inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to two equivalent Ce and seven Ni atoms. In the second P site, P is bonded in a 9-coordinate geometry to one Ce and eight Ni atoms. In the third P site, P is bonded in a 7-coordinate geometry to two equivalent Ce and seven Ni atoms. In the fourth P site, P is bonded in a 9-coordinate geometry to two equivalent Ce and seven Ni atoms.},
doi = {10.17188/1276964},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}