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Title: Materials Data on Hf2SbP by Materials Project

Abstract

Hf2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to three equivalent Sb and three equivalent P atoms to form a mixture of face, edge, and corner-sharing HfSb3P3 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. All Hf–Sb bond lengths are 2.94 Å. All Hf–P bond lengths are 2.58 Å. Sb is bonded to six equivalent Hf atoms to form distorted SbHf6 pentagonal pyramids that share corners with six equivalent PHf6 octahedra, edges with six equivalent PHf6 octahedra, and edges with six equivalent SbHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 10°. P is bonded to six equivalent Hf atoms to form PHf6 octahedra that share corners with six equivalent SbHf6 pentagonal pyramids, edges with six equivalent PHf6 octahedra, and edges with six equivalent SbHf6 pentagonal pyramids.

Publication Date:
Other Number(s):
mp-567220
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; Hf2SbP; Hf-P-Sb
OSTI Identifier:
1272689
DOI:
10.17188/1272689

Citation Formats

The Materials Project. Materials Data on Hf2SbP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1272689.
The Materials Project. Materials Data on Hf2SbP by Materials Project. United States. doi:10.17188/1272689.
The Materials Project. 2020. "Materials Data on Hf2SbP by Materials Project". United States. doi:10.17188/1272689. https://www.osti.gov/servlets/purl/1272689. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1272689,
title = {Materials Data on Hf2SbP by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2SbP is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Hf is bonded to three equivalent Sb and three equivalent P atoms to form a mixture of face, edge, and corner-sharing HfSb3P3 octahedra. The corner-sharing octahedra tilt angles range from 0–44°. All Hf–Sb bond lengths are 2.94 Å. All Hf–P bond lengths are 2.58 Å. Sb is bonded to six equivalent Hf atoms to form distorted SbHf6 pentagonal pyramids that share corners with six equivalent PHf6 octahedra, edges with six equivalent PHf6 octahedra, and edges with six equivalent SbHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 10°. P is bonded to six equivalent Hf atoms to form PHf6 octahedra that share corners with six equivalent SbHf6 pentagonal pyramids, edges with six equivalent PHf6 octahedra, and edges with six equivalent SbHf6 pentagonal pyramids.},
doi = {10.17188/1272689},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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