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Title: Materials Data on CdSO5 by Materials Project

Abstract

CdSO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with two equivalent CdO6 octahedra and corners with four equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Cd–O bond distances ranging from 2.28–2.32 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one S atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one S atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the fifth O site, O is bonded in a bentmore » 120 degrees geometry to two equivalent Cd atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1192703
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; CdSO5; Cd-O-S
OSTI Identifier:
1758675
DOI:
https://doi.org/10.17188/1758675

Citation Formats

The Materials Project. Materials Data on CdSO5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758675.
The Materials Project. Materials Data on CdSO5 by Materials Project. United States. doi:https://doi.org/10.17188/1758675
The Materials Project. 2020. "Materials Data on CdSO5 by Materials Project". United States. doi:https://doi.org/10.17188/1758675. https://www.osti.gov/servlets/purl/1758675. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758675,
title = {Materials Data on CdSO5 by Materials Project},
author = {The Materials Project},
abstractNote = {CdSO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with two equivalent CdO6 octahedra and corners with four equivalent SO4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Cd–O bond distances ranging from 2.28–2.32 Å. S is bonded to four O atoms to form SO4 tetrahedra that share corners with four equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 41–61°. There are a spread of S–O bond distances ranging from 1.48–1.50 Å. There are five inequivalent O sites. In the first O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one S atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Cd and one S atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to one Cd and one S atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Cd and one S atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to two equivalent Cd atoms.},
doi = {10.17188/1758675},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}