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Title: Materials Data on HoP5 by Materials Project

Abstract

HoP5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight P+0.60- atoms. There are a spread of Ho–P bond distances ranging from 2.92–3.01 Å. There are three inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Ho3+ and two P+0.60- atoms to form a mixture of corner and edge-sharing PHo2P2 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 Ho3+ and two equivalent P+0.60- atoms to form distorted corner-sharing PHo2P2 tetrahedra. Both P–P bond lengths are 2.22 Å. In the third P+0.60- site, P+0.60- is bonded to one Ho3+ and three P+0.60- atoms to form distorted PHoP3 tetrahedra that share corners with nine PHo2P2 tetrahedra and an edgeedge with one PHoP3 tetrahedra. The P–P bond length is 2.20 Å.

Publication Date:
Other Number(s):
mp-9851
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; HoP5; Ho-P
OSTI Identifier:
1316644
DOI:
https://doi.org/10.17188/1316644

Citation Formats

The Materials Project. Materials Data on HoP5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1316644.
The Materials Project. Materials Data on HoP5 by Materials Project. United States. doi:https://doi.org/10.17188/1316644
The Materials Project. 2020. "Materials Data on HoP5 by Materials Project". United States. doi:https://doi.org/10.17188/1316644. https://www.osti.gov/servlets/purl/1316644. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1316644,
title = {Materials Data on HoP5 by Materials Project},
author = {The Materials Project},
abstractNote = {HoP5 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight P+0.60- atoms. There are a spread of Ho–P bond distances ranging from 2.92–3.01 Å. There are three inequivalent P+0.60- sites. In the first P+0.60- site, P+0.60- is bonded to two equivalent Ho3+ and two P+0.60- atoms to form a mixture of corner and edge-sharing PHo2P2 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 Ho3+ and two equivalent P+0.60- atoms to form distorted corner-sharing PHo2P2 tetrahedra. Both P–P bond lengths are 2.22 Å. In the third P+0.60- site, P+0.60- is bonded to one Ho3+ and three P+0.60- atoms to form distorted PHoP3 tetrahedra that share corners with nine PHo2P2 tetrahedra and an edgeedge with one PHoP3 tetrahedra. The P–P bond length is 2.20 Å.},
doi = {10.17188/1316644},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}