Materials Data on Na14Cd2O9 by Materials Project
Na14Cd2O9 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four O2- atoms to form distorted NaO4 tetrahedra that share a cornercorner with one CdO4 tetrahedra, corners with fourteen NaO4 tetrahedra, an edgeedge with one CdO4 tetrahedra, and edges with four NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.34–2.56 Å. In the second Na1+ site, Na1+ is bonded to four equivalent O2- atoms to form distorted NaO4 tetrahedra that share corners with two equivalent CdO4 tetrahedra, corners with twelve NaO4 tetrahedra, an edgeedge with one CdO4 tetrahedra, and edges with four NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.30–2.51 Å. In the third Na1+ site, Na1+ is bonded to four O2- atoms to form NaO4 tetrahedra that share corners with three equivalent CdO4 tetrahedra, corners with ten NaO4 tetrahedra, and edges with six NaO4 tetrahedra. There are three shorter (2.38 Å) and one longer (2.41 Å) Na–O bond lengths. Cd2+ is bonded to four O2- atoms to form CdO4 tetrahedra that share corners with twelve NaO4 tetrahedra and edges with six NaO4 tetrahedra. There are one shorter (2.24 Å) and three longer (2.25 Å) Cd–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to six Na1+ and one Cd2+ atom to form a mixture of distorted edge and corner-sharing ONa6Cd pentagonal bipyramids. In the second O2- site, O2- is bonded in a body-centered cubic geometry to eight Na1+ atoms. In the third O2- site, O2- is bonded in a 7-coordinate geometry to six equivalent Na1+ and one Cd2+ atom.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1201778
- Report Number(s):
- mp-27559
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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