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Title: Materials Data on Na2CdO3 by Materials Project

Abstract

Na2CdO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are two shorter (2.34 Å) and four longer (2.50 Å) Na–O bond lengths. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are a spread of Na–O bond distances ranging from 2.37–2.52 Å. In the third Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Na–O bond lengths are 2.42 Å. Cd is bondedmore » to six O atoms to form CdO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent CdO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are four shorter (2.25 Å) and two longer (2.26 Å) Cd–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four Na and two equivalent Cd atoms to form a mixture of edge and corner-sharing ONa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O site, O is bonded to four Na and two equivalent Cd atoms to form a mixture of edge and corner-sharing ONa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.« less

Authors:
Publication Date:
Other Number(s):
mp-754782
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; Na2CdO3; Cd-Na-O
OSTI Identifier:
1289552
DOI:
https://doi.org/10.17188/1289552

Citation Formats

The Materials Project. Materials Data on Na2CdO3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1289552.
The Materials Project. Materials Data on Na2CdO3 by Materials Project. United States. doi:https://doi.org/10.17188/1289552
The Materials Project. 2020. "Materials Data on Na2CdO3 by Materials Project". United States. doi:https://doi.org/10.17188/1289552. https://www.osti.gov/servlets/purl/1289552. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1289552,
title = {Materials Data on Na2CdO3 by Materials Project},
author = {The Materials Project},
abstractNote = {Na2CdO3 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na sites. In the first Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 7–8°. There are two shorter (2.34 Å) and four longer (2.50 Å) Na–O bond lengths. In the second Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with two equivalent NaO6 octahedra, corners with four equivalent CdO6 octahedra, edges with four equivalent CdO6 octahedra, and edges with eight NaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are a spread of Na–O bond distances ranging from 2.37–2.52 Å. In the third Na site, Na is bonded to six O atoms to form NaO6 octahedra that share corners with six NaO6 octahedra, edges with six NaO6 octahedra, and edges with six equivalent CdO6 octahedra. The corner-sharing octahedral tilt angles are 8°. All Na–O bond lengths are 2.42 Å. Cd is bonded to six O atoms to form CdO6 octahedra that share corners with six NaO6 octahedra, edges with three equivalent CdO6 octahedra, and edges with nine NaO6 octahedra. The corner-sharing octahedra tilt angles range from 6–8°. There are four shorter (2.25 Å) and two longer (2.26 Å) Cd–O bond lengths. There are two inequivalent O sites. In the first O site, O is bonded to four Na and two equivalent Cd atoms to form a mixture of edge and corner-sharing ONa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 0–8°. In the second O site, O is bonded to four Na and two equivalent Cd atoms to form a mixture of edge and corner-sharing ONa4Cd2 octahedra. The corner-sharing octahedra tilt angles range from 0–6°.},
doi = {10.17188/1289552},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}