skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on CdHSeNO6 by Materials Project

Abstract

CdHSeO4NO2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight nitrous acid molecules and two CdHSeO4 sheets oriented in the (0, 0, 1) direction. In each CdHSeO4 sheet, Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.91 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. Se4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–2.19 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cd2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+, one H1+, and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ and one Se4+ atom.

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:
1287587
Report Number(s):
mp-723054
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; CdHSeNO6; Cd-H-N-O-Se

Citation Formats

The Materials Project. Materials Data on CdHSeNO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1287587.
The Materials Project. Materials Data on CdHSeNO6 by Materials Project. United States. https://doi.org/10.17188/1287587
The Materials Project. 2020. "Materials Data on CdHSeNO6 by Materials Project". United States. https://doi.org/10.17188/1287587. https://www.osti.gov/servlets/purl/1287587.
@article{osti_1287587,
title = {Materials Data on CdHSeNO6 by Materials Project},
author = {The Materials Project},
abstractNote = {CdHSeO4NO2 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of eight nitrous acid molecules and two CdHSeO4 sheets oriented in the (0, 0, 1) direction. In each CdHSeO4 sheet, Cd2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Cd–O bond distances ranging from 2.28–2.91 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. Se4+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.70–2.19 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Cd2+ and one Se4+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one Cd2+, one H1+, and one Se4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Cd2+ and one Se4+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Cd2+ and one Se4+ atom.},
doi = {10.17188/1287587},
url = {https://www.osti.gov/biblio/1287587}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}