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Title: Materials Data on Na2Cd(SO4)2 by Materials Project

Abstract

Na2Cd(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–3.06 Å. Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.28–2.43 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 38–68°. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Cd2+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Cd2+, and one S6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Cd2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one S6+ 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:
1270215
Report Number(s):
mp-558198
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; Na2Cd(SO4)2; Cd-Na-O-S

Citation Formats

The Materials Project. Materials Data on Na2Cd(SO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270215.
The Materials Project. Materials Data on Na2Cd(SO4)2 by Materials Project. United States. https://doi.org/10.17188/1270215
The Materials Project. 2020. "Materials Data on Na2Cd(SO4)2 by Materials Project". United States. https://doi.org/10.17188/1270215. https://www.osti.gov/servlets/purl/1270215.
@article{osti_1270215,
title = {Materials Data on Na2Cd(SO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2Cd(SO4)2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Na–O bond distances ranging from 2.36–3.06 Å. Cd2+ is bonded to six O2- atoms to form distorted CdO6 octahedra that share corners with six equivalent SO4 tetrahedra. There are a spread of Cd–O bond distances ranging from 2.28–2.43 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 38–68°. There are a spread of S–O bond distances ranging from 1.49–1.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent Na1+, one Cd2+, and one S6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Cd2+, and one S6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Cd2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one S6+ atom.},
doi = {10.17188/1270215},
url = {https://www.osti.gov/biblio/1270215}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}