Materials Data on ZrP by Materials Project
Abstract
ZrP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to six P3- atoms to form a mixture of edge, face, and corner-sharing ZrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.59 Å) and three longer (2.73 Å) Zr–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of distorted edge and corner-sharing PZr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge and corner-sharing PZr6 octahedra.
- Authors:
- Publication Date:
- 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)
- Contributing Org.:
- MIT; UC Berkeley; Duke; U Louvain
- OSTI Identifier:
- 1187752
- Report Number(s):
- mp-11345
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Resource Type:
- Data
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; crystal structure; ZrP; P-Zr
Citation Formats
The Materials Project. Materials Data on ZrP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187752.
The Materials Project. Materials Data on ZrP by Materials Project. United States. https://doi.org/10.17188/1187752
The Materials Project. 2020.
"Materials Data on ZrP by Materials Project". United States. https://doi.org/10.17188/1187752. https://www.osti.gov/servlets/purl/1187752.
@article{osti_1187752,
title = {Materials Data on ZrP by Materials Project},
author = {The Materials Project},
abstractNote = {ZrP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Zr3+ is bonded to six P3- atoms to form a mixture of edge, face, and corner-sharing ZrP6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.59 Å) and three longer (2.73 Å) Zr–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of distorted edge and corner-sharing PZr6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P3- site, P3- is bonded to six equivalent Zr3+ atoms to form a mixture of edge and corner-sharing PZr6 octahedra.},
doi = {10.17188/1187752},
url = {https://www.osti.gov/biblio/1187752},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}