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Title: Materials Data on Na4Cd2Si3O10 by Materials Project

Abstract

Na4Cd2Si3O10 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.45 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra, corners with three equivalent CdO5 trigonal bipyramids, an edgeedge with one NaO4 tetrahedra, and an edgeedge with one CdO5 trigonal bipyramid. There are a spread of Na–O bond distances ranging from 2.27–2.38 Å. Cd2+ is bonded to five O2- atoms to form CdO5 trigonal bipyramids that share corners with three equivalent NaO4 tetrahedra, corners with five SiO4 tetrahedra, an edgeedge with one NaO4 tetrahedra, and an edgeedge with one CdO5 trigonal bipyramid. There are a spread of Cd–O bond distances ranging from 2.25–2.38 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and corners with two equivalent CdO5 trigonal bipyramids. There is two shorter (1.62 Å) and twomore » longer (1.68 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra, corners with four equivalent NaO4 tetrahedra, and corners with four equivalent CdO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.64–1.70 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Cd2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Na1+, one Cd2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, two equivalent Cd2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Cd2+, and one Si4+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-556413
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; Na4Cd2Si3O10; Cd-Na-O-Si
OSTI Identifier:
1269335
DOI:
10.17188/1269335

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Na4Cd2Si3O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269335.
Persson, Kristin, & Project, Materials. Materials Data on Na4Cd2Si3O10 by Materials Project. United States. doi:10.17188/1269335.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Na4Cd2Si3O10 by Materials Project". United States. doi:10.17188/1269335. https://www.osti.gov/servlets/purl/1269335. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1269335,
title = {Materials Data on Na4Cd2Si3O10 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Na4Cd2Si3O10 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.32–2.45 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with four equivalent SiO4 tetrahedra, corners with three equivalent CdO5 trigonal bipyramids, an edgeedge with one NaO4 tetrahedra, and an edgeedge with one CdO5 trigonal bipyramid. There are a spread of Na–O bond distances ranging from 2.27–2.38 Å. Cd2+ is bonded to five O2- atoms to form CdO5 trigonal bipyramids that share corners with three equivalent NaO4 tetrahedra, corners with five SiO4 tetrahedra, an edgeedge with one NaO4 tetrahedra, and an edgeedge with one CdO5 trigonal bipyramid. There are a spread of Cd–O bond distances ranging from 2.25–2.38 Å. There are two inequivalent Si4+ sites. In the first Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with two equivalent SiO4 tetrahedra and corners with two equivalent CdO5 trigonal bipyramids. There is two shorter (1.62 Å) and two longer (1.68 Å) Si–O bond length. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share a cornercorner with one SiO4 tetrahedra, corners with four equivalent NaO4 tetrahedra, and corners with four equivalent CdO5 trigonal bipyramids. There are a spread of Si–O bond distances ranging from 1.64–1.70 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+ and two Si4+ atoms. In the second O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to two equivalent Na1+, one Cd2+, and one Si4+ atom. In the third O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to two Na1+, one Cd2+, and one Si4+ atom. In the fourth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, two equivalent Cd2+, and one Si4+ atom. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Na1+, one Cd2+, and one Si4+ atom.},
doi = {10.17188/1269335},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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