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Title: Materials Data on HfP by Materials Project

Abstract

HfP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to six P atoms to form a mixture of face, edge, and corner-sharing HfP6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.56 Å) and three longer (2.69 Å) Hf–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded to six equivalent Hf atoms to form a mixture of distorted edge and corner-sharing PHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P site, P is bonded to six equivalent Hf atoms to form a mixture of edge and corner-sharing PHf6 octahedra.

Publication Date:
Other Number(s):
mp-9953
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; HfP; Hf-P
OSTI Identifier:
1317052
DOI:
https://doi.org/10.17188/1317052

Citation Formats

The Materials Project. Materials Data on HfP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317052.
The Materials Project. Materials Data on HfP by Materials Project. United States. doi:https://doi.org/10.17188/1317052
The Materials Project. 2020. "Materials Data on HfP by Materials Project". United States. doi:https://doi.org/10.17188/1317052. https://www.osti.gov/servlets/purl/1317052. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1317052,
title = {Materials Data on HfP by Materials Project},
author = {The Materials Project},
abstractNote = {HfP is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to six P atoms to form a mixture of face, edge, and corner-sharing HfP6 octahedra. The corner-sharing octahedra tilt angles range from 0–46°. There are three shorter (2.56 Å) and three longer (2.69 Å) Hf–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded to six equivalent Hf atoms to form a mixture of distorted edge and corner-sharing PHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 4°. In the second P site, P is bonded to six equivalent Hf atoms to form a mixture of edge and corner-sharing PHf6 octahedra.},
doi = {10.17188/1317052},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}