Materials Data on Na2Cd3Si3O10 by Materials Project
Na2Cd3Si3O10 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Na1+ is bonded to five O2- atoms to form distorted NaO5 square pyramids that share corners with four SiO4 tetrahedra, corners with four equivalent CdO5 trigonal bipyramids, an edgeedge with one CdO6 octahedra, an edgeedge with one NaO5 square pyramid, and an edgeedge with one SiO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.36–2.53 Å. There are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded to five O2- atoms to form distorted CdO5 trigonal bipyramids that share corners with two equivalent CdO6 octahedra, corners with four equivalent NaO5 square pyramids, corners with five SiO4 tetrahedra, corners with two equivalent CdO5 trigonal bipyramids, and an edgeedge with one CdO6 octahedra. The corner-sharing octahedra tilt angles range from 62–77°. There are a spread of Cd–O bond distances ranging from 2.26–2.38 Å. In the second Cd2+ site, Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with two equivalent SiO4 tetrahedra, corners with four equivalent CdO5 trigonal bipyramids, edges with two equivalent NaO5 square pyramids, edges with two equivalent SiO4 tetrahedra, and edges with two equivalent CdO5 trigonal bipyramids. There are a spread of Cd–O bond distances ranging from 2.26–2.44 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 a cornercorner with one CdO6 octahedra, a cornercorner with one NaO5 square pyramid, a cornercorner with one SiO4 tetrahedra, corners with four equivalent CdO5 trigonal bipyramids, an edgeedge with one CdO6 octahedra, and an edgeedge with one NaO5 square pyramid. The corner-sharing octahedral tilt angles are 53°. There are a spread of Si–O bond distances ranging from 1.63–1.68 Å. In the second Si4+ site, Si4+ is bonded to four O2- atoms to form SiO4 tetrahedra that share corners with six equivalent NaO5 square pyramids, corners with two equivalent SiO4 tetrahedra, and corners with two equivalent CdO5 trigonal bipyramids. There is two shorter (1.63 Å) and two longer (1.68 Å) Si–O bond length. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to one Na1+, two Cd2+, and one Si4+ atom. In the second O2- site, O2- is bonded to three Cd2+ and one Si4+ atom to form distorted OCd3Si trigonal pyramids that share corners with two equivalent ONa2CdSi tetrahedra and corners with three equivalent OCd3Si trigonal pyramids. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+ and two Si4+ atoms. In the fourth O2- site, O2- is bonded to two equivalent Na1+, one Cd2+, and one Si4+ atom to form distorted ONa2CdSi tetrahedra that share a cornercorner with one ONa2CdSi tetrahedra, corners with two equivalent OCd3Si trigonal pyramids, and an edgeedge with one ONa2CdSi tetrahedra. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to one Na1+, two Cd2+, and one Si4+ 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:
- 1277581
- Report Number(s):
- mp-6078
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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