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Title: Materials Data on CaHI by Materials Project

Abstract

CaHI crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaHI sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 4-coordinate geometry to four equivalent H1- and four equivalent I1- atoms. All Ca–H bond lengths are 2.35 Å. All Ca–I bond lengths are 3.27 Å. H1- is bonded to four equivalent Ca2+ atoms to form a mixture of corner and edge-sharing HCa4 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Ca2+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-24204
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; CaHI; Ca-H-I
OSTI Identifier:
1199975
DOI:
https://doi.org/10.17188/1199975

Citation Formats

The Materials Project. Materials Data on CaHI by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199975.
The Materials Project. Materials Data on CaHI by Materials Project. United States. doi:https://doi.org/10.17188/1199975
The Materials Project. 2020. "Materials Data on CaHI by Materials Project". United States. doi:https://doi.org/10.17188/1199975. https://www.osti.gov/servlets/purl/1199975. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1199975,
title = {Materials Data on CaHI by Materials Project},
author = {The Materials Project},
abstractNote = {CaHI crystallizes in the tetragonal P4/nmm space group. The structure is two-dimensional and consists of one CaHI sheet oriented in the (0, 0, 1) direction. Ca2+ is bonded in a 4-coordinate geometry to four equivalent H1- and four equivalent I1- atoms. All Ca–H bond lengths are 2.35 Å. All Ca–I bond lengths are 3.27 Å. H1- is bonded to four equivalent Ca2+ atoms to form a mixture of corner and edge-sharing HCa4 tetrahedra. I1- is bonded in a 4-coordinate geometry to four equivalent Ca2+ atoms.},
doi = {10.17188/1199975},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}