U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Hf2P by Materials Project
Abstract
Hf2P crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are six inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted T-shaped geometry to three P atoms. There are a spread of Hf–P bond distances ranging from 2.70–2.84 Å. In the second Hf site, Hf is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Hf–P bond distances ranging from 2.63–2.98 Å. In the third Hf site, Hf is bonded to five P atoms to form distorted edge-sharing HfP5 trigonal bipyramids. There are a spread of Hf–P bond distances ranging from 2.63–2.68 Å. In the fourth Hf site, Hf is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Hf–P bond distances ranging from 2.60–3.08 Å. In the fifth Hf site, Hf is bonded in a 4-coordinate geometry to four P atoms. There are two shorter (2.65 Å) and two longer (2.73 Å) Hf–P bond lengths. In the sixth Hf site, Hf is bonded in a distorted trigonal non-coplanar geometry to three P atoms. There are two shorter (2.64 Å) and one longer (2.72 Å) Hf–P bond lengths. There are three inequivalentmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-504659
- 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; Hf2P; Hf-P
- OSTI Identifier:
- 1261896
- DOI:
- https://doi.org/10.17188/1261896
Citation Formats
The Materials Project. Materials Data on Hf2P by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1261896.
The Materials Project. Materials Data on Hf2P by Materials Project. United States. doi:https://doi.org/10.17188/1261896
The Materials Project. 2017.
"Materials Data on Hf2P by Materials Project". United States. doi:https://doi.org/10.17188/1261896. https://www.osti.gov/servlets/purl/1261896. Pub date:Thu May 11 00:00:00 EDT 2017
@article{osti_1261896,
title = {Materials Data on Hf2P by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2P crystallizes in the orthorhombic Pnnm space group. The structure is three-dimensional. there are six inequivalent Hf sites. In the first Hf site, Hf is bonded in a distorted T-shaped geometry to three P atoms. There are a spread of Hf–P bond distances ranging from 2.70–2.84 Å. In the second Hf site, Hf is bonded in a 5-coordinate geometry to five P atoms. There are a spread of Hf–P bond distances ranging from 2.63–2.98 Å. In the third Hf site, Hf is bonded to five P atoms to form distorted edge-sharing HfP5 trigonal bipyramids. There are a spread of Hf–P bond distances ranging from 2.63–2.68 Å. In the fourth Hf site, Hf is bonded in a 4-coordinate geometry to four P atoms. There are a spread of Hf–P bond distances ranging from 2.60–3.08 Å. In the fifth Hf site, Hf is bonded in a 4-coordinate geometry to four P atoms. There are two shorter (2.65 Å) and two longer (2.73 Å) Hf–P bond lengths. In the sixth Hf site, Hf is bonded in a distorted trigonal non-coplanar geometry to three P atoms. There are two shorter (2.64 Å) and one longer (2.72 Å) Hf–P bond lengths. There are three inequivalent P sites. In the first P site, P is bonded in a 8-coordinate geometry to eight Hf atoms. In the second P site, P is bonded in a 9-coordinate geometry to nine Hf atoms. In the third P site, P is bonded to seven Hf atoms to form distorted edge-sharing PHf7 pentagonal bipyramids.},
doi = {10.17188/1261896},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu May 11 00:00:00 EDT 2017},
month = {Thu May 11 00:00:00 EDT 2017}
}