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Title: Materials Data on CdHOF by Materials Project

Abstract

Cd(OH)F crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cd2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of edge and corner-sharing CdO3F3 octahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are two shorter (2.28 Å) and one longer (2.29 Å) Cd–O bond lengths. There are one shorter (2.36 Å) and two longer (2.39 Å) Cd–F bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Cd2+ and one H1+ atom. F1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.

Publication Date:
Other Number(s):
mp-1226809
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; CdHOF; Cd-F-H-O
OSTI Identifier:
1663823
DOI:
https://doi.org/10.17188/1663823

Citation Formats

The Materials Project. Materials Data on CdHOF by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1663823.
The Materials Project. Materials Data on CdHOF by Materials Project. United States. doi:https://doi.org/10.17188/1663823
The Materials Project. 2019. "Materials Data on CdHOF by Materials Project". United States. doi:https://doi.org/10.17188/1663823. https://www.osti.gov/servlets/purl/1663823. Pub date:Sun Jan 13 00:00:00 EST 2019
@article{osti_1663823,
title = {Materials Data on CdHOF by Materials Project},
author = {The Materials Project},
abstractNote = {Cd(OH)F crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cd2+ is bonded to three equivalent O2- and three equivalent F1- atoms to form a mixture of edge and corner-sharing CdO3F3 octahedra. The corner-sharing octahedra tilt angles range from 53–59°. There are two shorter (2.28 Å) and one longer (2.29 Å) Cd–O bond lengths. There are one shorter (2.36 Å) and two longer (2.39 Å) Cd–F bond lengths. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. O2- is bonded in a distorted single-bond geometry to three equivalent Cd2+ and one H1+ atom. F1- is bonded in a 3-coordinate geometry to three equivalent Cd2+ atoms.},
doi = {10.17188/1663823},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}