Materials Data on Zr3P by Materials Project
Abstract
Zr3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Zr–P bond distances ranging from 2.76–2.82 Å. In the second Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Zr–P bond distances ranging from 2.69–2.88 Å. In the third Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.73 Å) and one longer (2.78 Å) Zr–P bond lengths. P is bonded in a 9-coordinate geometry to nine Zr atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-22447
- 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; Zr3P; P-Zr
- OSTI Identifier:
- 1197654
- DOI:
- https://doi.org/10.17188/1197654
Citation Formats
The Materials Project. Materials Data on Zr3P by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1197654.
The Materials Project. Materials Data on Zr3P by Materials Project. United States. doi:https://doi.org/10.17188/1197654
The Materials Project. 2020.
"Materials Data on Zr3P by Materials Project". United States. doi:https://doi.org/10.17188/1197654. https://www.osti.gov/servlets/purl/1197654. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1197654,
title = {Materials Data on Zr3P by Materials Project},
author = {The Materials Project},
abstractNote = {Zr3P crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Zr sites. In the first Zr site, Zr is bonded in a distorted see-saw-like geometry to four equivalent P atoms. There are a spread of Zr–P bond distances ranging from 2.76–2.82 Å. In the second Zr site, Zr is bonded in a 3-coordinate geometry to three equivalent P atoms. There are a spread of Zr–P bond distances ranging from 2.69–2.88 Å. In the third Zr site, Zr is bonded in a distorted bent 150 degrees geometry to two equivalent P atoms. There are one shorter (2.73 Å) and one longer (2.78 Å) Zr–P bond lengths. P is bonded in a 9-coordinate geometry to nine Zr atoms.},
doi = {10.17188/1197654},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}
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