U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf3ZnN by Materials Project
Abstract
Hf3ZnN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted L-shaped geometry to three equivalent Zn and two equivalent N atoms. There are two shorter (2.83 Å) and one longer (2.93 Å) Hf–Zn bond lengths. Both Hf–N bond lengths are 2.24 Å. In the second Hf site, Hf is bonded in a distorted bent 150 degrees geometry to two equivalent Zn and two equivalent N atoms. Both Hf–Zn bond lengths are 2.81 Å. Both Hf–N bond lengths are 2.27 Å. Zn is bonded in a 9-coordinate geometry to eight Hf atoms. N is bonded to six Hf atoms to form a mixture of corner and edge-sharing NHf6 octahedra. The corner-sharing octahedral tilt angles are 26°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1014252
- 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; Hf3ZnN; Hf-N-Zn
- OSTI Identifier:
- 1337316
- DOI:
- https://doi.org/10.17188/1337316
Citation Formats
The Materials Project. Materials Data on Hf3ZnN by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1337316.
The Materials Project. Materials Data on Hf3ZnN by Materials Project. United States. doi:https://doi.org/10.17188/1337316
The Materials Project. 2020.
"Materials Data on Hf3ZnN by Materials Project". United States. doi:https://doi.org/10.17188/1337316. https://www.osti.gov/servlets/purl/1337316. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1337316,
title = {Materials Data on Hf3ZnN by Materials Project},
author = {The Materials Project},
abstractNote = {Hf3ZnN crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted L-shaped geometry to three equivalent Zn and two equivalent N atoms. There are two shorter (2.83 Å) and one longer (2.93 Å) Hf–Zn bond lengths. Both Hf–N bond lengths are 2.24 Å. In the second Hf site, Hf is bonded in a distorted bent 150 degrees geometry to two equivalent Zn and two equivalent N atoms. Both Hf–Zn bond lengths are 2.81 Å. Both Hf–N bond lengths are 2.27 Å. Zn is bonded in a 9-coordinate geometry to eight Hf atoms. N is bonded to six Hf atoms to form a mixture of corner and edge-sharing NHf6 octahedra. The corner-sharing octahedral tilt angles are 26°.},
doi = {10.17188/1337316},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}