Materials Data on HoCuP2 by Materials Project
Abstract
HoCuP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight P2- atoms. There are four shorter (2.84 Å) and four longer (2.91 Å) Ho–P bond lengths. Cu1+ is bonded to four equivalent P2- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.40 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent P2- atoms. All P–P bond lengths are 2.62 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Cu1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-30195
- 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; HoCuP2; Cu-Ho-P
- OSTI Identifier:
- 1204611
- DOI:
- https://doi.org/10.17188/1204611
Citation Formats
The Materials Project. Materials Data on HoCuP2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204611.
The Materials Project. Materials Data on HoCuP2 by Materials Project. United States. doi:https://doi.org/10.17188/1204611
The Materials Project. 2020.
"Materials Data on HoCuP2 by Materials Project". United States. doi:https://doi.org/10.17188/1204611. https://www.osti.gov/servlets/purl/1204611. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204611,
title = {Materials Data on HoCuP2 by Materials Project},
author = {The Materials Project},
abstractNote = {HoCuP2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Ho3+ is bonded in a 8-coordinate geometry to eight P2- atoms. There are four shorter (2.84 Å) and four longer (2.91 Å) Ho–P bond lengths. Cu1+ is bonded to four equivalent P2- atoms to form a mixture of edge and corner-sharing CuP4 tetrahedra. All Cu–P bond lengths are 2.40 Å. There are two inequivalent P2- sites. In the first P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent P2- atoms. All P–P bond lengths are 2.62 Å. In the second P2- site, P2- is bonded in a 8-coordinate geometry to four equivalent Ho3+ and four equivalent Cu1+ atoms.},
doi = {10.17188/1204611},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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