Materials Data on Na6CdCl8 by Materials Project
Na6CdCl8 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six Cl1- atoms to form NaCl6 octahedra that share corners with six equivalent NaCl6 octahedra, edges with two equivalent CdCl6 octahedra, and edges with eight equivalent NaCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–7°. All Na–Cl bond lengths are 2.85 Å. Cd2+ is bonded to six equivalent Cl1- atoms to form CdCl6 octahedra that share edges with twelve equivalent NaCl6 octahedra. All Cd–Cl bond lengths are 2.67 Å. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to four equivalent Na1+ and one Cd2+ atom to form ClNa4Cd square pyramids that share corners with nine equivalent ClNa4Cd square pyramids, edges with four equivalent ClNa6 octahedra, and edges with four equivalent ClNa4Cd square pyramids. In the second Cl1- site, Cl1- is bonded to six equivalent Na1+ atoms to form ClNa6 octahedra that share corners with six equivalent ClNa6 octahedra and edges with twelve equivalent ClNa4Cd square pyramids. The corner-sharing octahedral tilt angles are 0°.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1202158
- Report Number(s):
- mp-28022
- Country of Publication:
- United States
- Language:
- English
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