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Title: Materials Data on NdP5 by Materials Project

Abstract

NdP5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight P+0.60- atoms. There are a spread of Nd–P bond distances ranging from 3.03–3.08 Å. There are three inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Nd3+ and two P+0.60- atoms to form a mixture of corner and edge-sharing PNd2P2 tetrahedra. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.60- site, P+0.60- is bonded to two equivalent Nd3+ and two equivalent P+0.60- atoms to form distorted corner-sharing PNd2P2 tetrahedra. Both P–P bond lengths are 2.22 Å. In the third P+0.60- site, P+0.60- is bonded to one Nd3+ and three P+0.60- atoms to form distorted PNdP3 tetrahedra that share corners with nine PNd2P2 tetrahedra and an edgeedge with one PNdP3 tetrahedra. The P–P bond length is 2.21 Å.

Publication Date:
Other Number(s):
mp-7332
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; NdP5; Nd-P
OSTI Identifier:
1287678
DOI:
10.17188/1287678

Citation Formats

The Materials Project. Materials Data on NdP5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287678.
The Materials Project. Materials Data on NdP5 by Materials Project. United States. doi:10.17188/1287678.
The Materials Project. 2020. "Materials Data on NdP5 by Materials Project". United States. doi:10.17188/1287678. https://www.osti.gov/servlets/purl/1287678. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1287678,
title = {Materials Data on NdP5 by Materials Project},
author = {The Materials Project},
abstractNote = {NdP5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight P+0.60- atoms. There are a spread of Nd–P bond distances ranging from 3.03–3.08 Å. There are three inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Nd3+ and two P+0.60- atoms to form a mixture of corner and edge-sharing PNd2P2 tetrahedra. There are one shorter (2.17 Å) and one longer (2.22 Å) P–P bond lengths. In the second P+0.60- site, P+0.60- is bonded to two equivalent Nd3+ and two equivalent P+0.60- atoms to form distorted corner-sharing PNd2P2 tetrahedra. Both P–P bond lengths are 2.22 Å. In the third P+0.60- site, P+0.60- is bonded to one Nd3+ and three P+0.60- atoms to form distorted PNdP3 tetrahedra that share corners with nine PNd2P2 tetrahedra and an edgeedge with one PNdP3 tetrahedra. The P–P bond length is 2.21 Å.},
doi = {10.17188/1287678},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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