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Title: Materials Data on Hf2CS by Materials Project

Abstract

Hf2SC 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 C and three equivalent S atoms to form a mixture of edge, face, and corner-sharing HfC3S3 octahedra. The corner-sharing octahedra tilt angles range from 0–43°. All Hf–C bond lengths are 2.29 Å. All Hf–S bond lengths are 2.66 Å. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent SHf6 pentagonal pyramids, edges with six equivalent CHf6 octahedra, and edges with six equivalent SHf6 pentagonal pyramids. S is bonded to six equivalent Hf atoms to form distorted SHf6 pentagonal pyramids that share corners with six equivalent CHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent SHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°.

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:
1189407
Report Number(s):
mp-13137
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; Hf2CS; C-Hf-S

Citation Formats

The Materials Project. Materials Data on Hf2CS by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1189407.
The Materials Project. Materials Data on Hf2CS by Materials Project. United States. https://doi.org/10.17188/1189407
The Materials Project. 2020. "Materials Data on Hf2CS by Materials Project". United States. https://doi.org/10.17188/1189407. https://www.osti.gov/servlets/purl/1189407.
@article{osti_1189407,
title = {Materials Data on Hf2CS by Materials Project},
author = {The Materials Project},
abstractNote = {Hf2SC 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 C and three equivalent S atoms to form a mixture of edge, face, and corner-sharing HfC3S3 octahedra. The corner-sharing octahedra tilt angles range from 0–43°. All Hf–C bond lengths are 2.29 Å. All Hf–S bond lengths are 2.66 Å. C is bonded to six equivalent Hf atoms to form CHf6 octahedra that share corners with six equivalent SHf6 pentagonal pyramids, edges with six equivalent CHf6 octahedra, and edges with six equivalent SHf6 pentagonal pyramids. S is bonded to six equivalent Hf atoms to form distorted SHf6 pentagonal pyramids that share corners with six equivalent CHf6 octahedra, edges with six equivalent CHf6 octahedra, and edges with six equivalent SHf6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 11°.},
doi = {10.17188/1189407},
url = {https://www.osti.gov/biblio/1189407}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 22 00:00:00 EDT 2020},
month = {Wed Jul 22 00:00:00 EDT 2020}
}